MiMeDB: Showing metabocard for Pentadecanoic acid (MMDBc0000551)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2020-12-10 18:40:20 UTC

Update Date

2022-08-31 06:08:25 UTC

Metabolite ID

MMDBc0000551

Metabolite Identification

Common Name

Pentadecanoic acid

Description

Pentadecanoic acid, also known as pentadecylic acid or C15:0, belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Pentadecanoic acid (its ester is called pentadecanoate) is a saturated fatty acid that has 15 carbons and is therefore a very hydrophobic molecule that is practically insoluble in water. Pentadecanoic acid is found in plants and ruminants. Many "odd" length long-chain fatty acids, such as pentadecanoic acid, are derived from the consumption of cattle fats (milk and meat). Pentadecanoic acid constitutes 1.05% of milk fat and 0.43% of ruminant meat fat. The content of pentadecanoic acid in the subcutaneous adipose tissue of humans appears to be a good biological marker of long-term milk fat intake in free-living individuals in populations with high consumption of dairy products. (PMID: 9701185 ; PMID: 11238766 ).

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HMDB0000826
     RDKit          3D
Pentadecanoic acid
 47 46  0  0  0  0  0  0  0  0999 V2000
    6.2707    0.8262   -0.2481 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9039   -0.3497   -1.0744 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8844   -1.2802   -0.5386 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5106   -0.8133   -0.3181 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3746    0.3024    0.6446 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9045    0.6877    0.8819 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2285    1.1378   -0.3821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1929    1.5293   -0.1341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0479    0.3927    0.4239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4600    0.9448    0.6123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3979   -0.0822    1.1709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5308   -1.2908    0.2833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0414   -0.9482   -1.0769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3864   -0.2961   -1.1042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4822   -1.0846   -0.5348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2727   -2.2192   -0.0782 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7529   -0.5637   -0.5060 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9885    0.7346    0.8179 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8662    1.7654   -0.6436 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4177    0.9568   -0.2396 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8565   -0.9162   -1.3116 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5716   -0.0272   -2.1187 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8347   -2.1680   -1.2523 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2339   -1.7537    0.4381 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9255   -1.6819    0.0964 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0332   -0.5895   -1.3114 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8351    0.0675    1.5989 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8213    1.2534    0.2488 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3495   -0.1896    1.2819 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9110    1.5174    1.5954 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7479    2.0590   -0.7537 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3182    0.3912   -1.1984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6733    1.9241   -1.0423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2004    2.3586    0.6085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6395    0.0751    1.3902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0272   -0.4708   -0.2614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4241    1.8218    1.3099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8284    1.2965   -0.3771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3900    0.4201    1.2842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0185   -0.3467    2.1800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5166   -1.7271    0.1599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1170   -2.1014    0.7745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0485   -1.8580   -1.7195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3188   -0.2614   -1.5609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3886    0.6925   -0.5654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5836   -0.0066   -2.1763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0485   -0.1287    0.3724 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
  1 18  1  0
  1 19  1  0
  1 20  1  0
  2 21  1  0
  2 22  1  0
  3 23  1  0
  3 24  1  0
  4 25  1  0
  4 26  1  0
  5 27  1  0
  5 28  1  0
  6 29  1  0
  6 30  1  0
  7 31  1  0
  7 32  1  0
  8 33  1  0
  8 34  1  0
  9 35  1  0
  9 36  1  0
 10 37  1  0
 10 38  1  0
 11 39  1  0
 11 40  1  0
 12 41  1  0
 12 42  1  0
 13 43  1  0
 13 44  1  0
 14 45  1  0
 14 46  1  0
 17 47  1  0
M  END


  Mrv1652309272007382D          

 17 16  0  0  0  0            999 V2000
10025.598610025.7649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10026.315910025.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10027.029710025.7649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10027.745510025.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10028.461210025.7649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10029.174910025.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10029.890610025.7649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10030.606410025.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10031.320010025.7649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10024.883610025.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10024.168510025.7649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10023.453610025.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10022.738710025.7649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10022.023710025.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10021.308910025.7649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10020.593710025.3533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10021.308910026.5906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0000551

> <DATABASE_NAME>
MIME

> <SMILES>
CCCCCCCCCCCCCCC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)

> <INCHI_KEY>
WQEPLUUGTLDZJY-UHFFFAOYSA-N

> <FORMULA>
C15H30O2

> <MOLECULAR_WEIGHT>
242.3975

> <EXACT_MASS>
242.224580204

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
47

> <JCHEM_AVERAGE_POLARIZABILITY>
32.231033831473866

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
pentadecanoic acid

> <ALOGPS_LOGP>
6.65

> <JCHEM_LOGP>
5.812014112666667

> <ALOGPS_LOGS>
-5.86

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.952019655228562

> <JCHEM_POLAR_SURFACE_AREA>
37.3

> <JCHEM_REFRACTIVITY>
72.48259999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
13

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.34e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
pentadecanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0000826
     RDKit          3D
Pentadecanoic acid
 47 46  0  0  0  0  0  0  0  0999 V2000
    6.2707    0.8262   -0.2481 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9039   -0.3497   -1.0744 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8844   -1.2802   -0.5386 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5106   -0.8133   -0.3181 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3746    0.3024    0.6446 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9045    0.6877    0.8819 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2285    1.1378   -0.3821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1929    1.5293   -0.1341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0479    0.3927    0.4239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4600    0.9448    0.6123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3979   -0.0822    1.1709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5308   -1.2908    0.2833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0414   -0.9482   -1.0769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3864   -0.2961   -1.1042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4822   -1.0846   -0.5348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2727   -2.2192   -0.0782 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7529   -0.5637   -0.5060 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9885    0.7346    0.8179 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8662    1.7654   -0.6436 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4177    0.9568   -0.2396 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8565   -0.9162   -1.3116 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5716   -0.0272   -2.1187 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8347   -2.1680   -1.2523 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2339   -1.7537    0.4381 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9255   -1.6819    0.0964 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0332   -0.5895   -1.3114 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8351    0.0675    1.5989 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8213    1.2534    0.2488 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3495   -0.1896    1.2819 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9110    1.5174    1.5954 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7479    2.0590   -0.7537 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3182    0.3912   -1.1984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6733    1.9241   -1.0423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2004    2.3586    0.6085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6395    0.0751    1.3902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0272   -0.4708   -0.2614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4241    1.8218    1.3099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8284    1.2965   -0.3771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3900    0.4201    1.2842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0185   -0.3467    2.1800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5166   -1.7271    0.1599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1170   -2.1014    0.7745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0485   -1.8580   -1.7195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3188   -0.2614   -1.5609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3886    0.6925   -0.5654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5836   -0.0066   -2.1763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0485   -0.1287    0.3724 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
  1 18  1  0
  1 19  1  0
  1 20  1  0
  2 21  1  0
  2 22  1  0
  3 23  1  0
  3 24  1  0
  4 25  1  0
  4 26  1  0
  5 27  1  0
  5 28  1  0
  6 29  1  0
  6 30  1  0
  7 31  1  0
  7 32  1  0
  8 33  1  0
  8 34  1  0
  9 35  1  0
  9 36  1  0
 10 37  1  0
 10 38  1  0
 11 39  1  0
 11 40  1  0
 12 41  1  0
 12 42  1  0
 13 43  1  0
 13 44  1  0
 14 45  1  0
 14 46  1  0
 17 47  1  0
M  END

HEADER    PROTEIN                                 27-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-SEP-20         0                                  
HETATM    1  C   UNK     0    8714.4518714.761   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0    8715.7908713.993   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0    8717.1228714.761   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0    8718.4588713.993   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0    8719.7948714.761   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0    8721.1268713.993   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0    8722.4628714.761   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0    8723.7998713.993   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0    8725.1318714.761   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0    8713.1168713.993   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0    8711.7818714.761   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0    8710.4478713.993   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0    8709.1128714.761   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0    8707.7788713.993   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    8706.4438714.761   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0    8705.1088713.993   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0    8706.4438716.302   0.000  0.00  0.00           O+0
CONECT    1    2   10                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8                                                            
CONECT   10    1   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15                                                            
MASTER        0    0    0    0    0    0    0    0   17    0   32    0
END

COMPND    HMDB0000826
HETATM    1  C1  UNL     1       6.271   0.826  -0.248  1.00  0.00           C  
HETATM    2  C2  UNL     1       5.904  -0.350  -1.074  1.00  0.00           C  
HETATM    3  C3  UNL     1       4.884  -1.280  -0.539  1.00  0.00           C  
HETATM    4  C4  UNL     1       3.511  -0.813  -0.318  1.00  0.00           C  
HETATM    5  C5  UNL     1       3.375   0.302   0.645  1.00  0.00           C  
HETATM    6  C6  UNL     1       1.904   0.688   0.882  1.00  0.00           C  
HETATM    7  C7  UNL     1       1.228   1.138  -0.382  1.00  0.00           C  
HETATM    8  C8  UNL     1      -0.193   1.529  -0.134  1.00  0.00           C  
HETATM    9  C9  UNL     1      -1.048   0.393   0.424  1.00  0.00           C  
HETATM   10  C10 UNL     1      -2.460   0.945   0.612  1.00  0.00           C  
HETATM   11  C11 UNL     1      -3.398  -0.082   1.171  1.00  0.00           C  
HETATM   12  C12 UNL     1      -3.531  -1.291   0.283  1.00  0.00           C  
HETATM   13  C13 UNL     1      -4.041  -0.948  -1.077  1.00  0.00           C  
HETATM   14  C14 UNL     1      -5.386  -0.296  -1.104  1.00  0.00           C  
HETATM   15  C15 UNL     1      -6.482  -1.085  -0.535  1.00  0.00           C  
HETATM   16  O1  UNL     1      -6.273  -2.219  -0.078  1.00  0.00           O  
HETATM   17  O2  UNL     1      -7.753  -0.564  -0.506  1.00  0.00           O  
HETATM   18  H1  UNL     1       5.989   0.735   0.818  1.00  0.00           H  
HETATM   19  H2  UNL     1       5.866   1.765  -0.644  1.00  0.00           H  
HETATM   20  H3  UNL     1       7.418   0.957  -0.240  1.00  0.00           H  
HETATM   21  H4  UNL     1       6.856  -0.916  -1.312  1.00  0.00           H  
HETATM   22  H5  UNL     1       5.572  -0.027  -2.119  1.00  0.00           H  
HETATM   23  H6  UNL     1       4.835  -2.168  -1.252  1.00  0.00           H  
HETATM   24  H7  UNL     1       5.234  -1.754   0.438  1.00  0.00           H  
HETATM   25  H8  UNL     1       2.926  -1.682   0.096  1.00  0.00           H  
HETATM   26  H9  UNL     1       3.033  -0.589  -1.311  1.00  0.00           H  
HETATM   27  H10 UNL     1       3.835   0.068   1.599  1.00  0.00           H  
HETATM   28  H11 UNL     1       3.821   1.253   0.249  1.00  0.00           H  
HETATM   29  H12 UNL     1       1.349  -0.190   1.282  1.00  0.00           H  
HETATM   30  H13 UNL     1       1.911   1.517   1.595  1.00  0.00           H  
HETATM   31  H14 UNL     1       1.748   2.059  -0.754  1.00  0.00           H  
HETATM   32  H15 UNL     1       1.318   0.391  -1.198  1.00  0.00           H  
HETATM   33  H16 UNL     1      -0.673   1.924  -1.042  1.00  0.00           H  
HETATM   34  H17 UNL     1      -0.200   2.359   0.608  1.00  0.00           H  
HETATM   35  H18 UNL     1      -0.639   0.075   1.390  1.00  0.00           H  
HETATM   36  H19 UNL     1      -1.027  -0.471  -0.261  1.00  0.00           H  
HETATM   37  H20 UNL     1      -2.424   1.822   1.310  1.00  0.00           H  
HETATM   38  H21 UNL     1      -2.828   1.296  -0.377  1.00  0.00           H  
HETATM   39  H22 UNL     1      -4.390   0.420   1.284  1.00  0.00           H  
HETATM   40  H23 UNL     1      -3.019  -0.347   2.180  1.00  0.00           H  
HETATM   41  H24 UNL     1      -2.517  -1.727   0.160  1.00  0.00           H  
HETATM   42  H25 UNL     1      -4.117  -2.101   0.774  1.00  0.00           H  
HETATM   43  H26 UNL     1      -4.048  -1.858  -1.719  1.00  0.00           H  
HETATM   44  H27 UNL     1      -3.319  -0.261  -1.561  1.00  0.00           H  
HETATM   45  H28 UNL     1      -5.389   0.693  -0.565  1.00  0.00           H  
HETATM   46  H29 UNL     1      -5.584  -0.007  -2.176  1.00  0.00           H  
HETATM   47  H30 UNL     1      -8.049  -0.129   0.372  1.00  0.00           H  
CONECT    1    2   18   19   20
CONECT    2    3   21   22
CONECT    3    4   23   24
CONECT    4    5   25   26
CONECT    5    6   27   28
CONECT    6    7   29   30
CONECT    7    8   31   32
CONECT    8    9   33   34
CONECT    9   10   35   36
CONECT   10   11   37   38
CONECT   11   12   39   40
CONECT   12   13   41   42
CONECT   13   14   43   44
CONECT   14   15   45   46
CONECT   15   16   16   17
CONECT   17   47
END

HMDB0000826
     RDKit          3D
Pentadecanoic acid
 47 46  0  0  0  0  0  0  0  0999 V2000
    6.2707    0.8262   -0.2481 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9039   -0.3497   -1.0744 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8844   -1.2802   -0.5386 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5106   -0.8133   -0.3181 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3746    0.3024    0.6446 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9045    0.6877    0.8819 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2285    1.1378   -0.3821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1929    1.5293   -0.1341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0479    0.3927    0.4239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4600    0.9448    0.6123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3979   -0.0822    1.1709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5308   -1.2908    0.2833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0414   -0.9482   -1.0769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3864   -0.2961   -1.1042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4822   -1.0846   -0.5348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2727   -2.2192   -0.0782 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7529   -0.5637   -0.5060 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9885    0.7346    0.8179 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8662    1.7654   -0.6436 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4177    0.9568   -0.2396 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8565   -0.9162   -1.3116 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5716   -0.0272   -2.1187 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8347   -2.1680   -1.2523 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2339   -1.7537    0.4381 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9255   -1.6819    0.0964 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0332   -0.5895   -1.3114 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8351    0.0675    1.5989 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8213    1.2534    0.2488 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3495   -0.1896    1.2819 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9110    1.5174    1.5954 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7479    2.0590   -0.7537 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3182    0.3912   -1.1984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6733    1.9241   -1.0423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2004    2.3586    0.6085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6395    0.0751    1.3902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0272   -0.4708   -0.2614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4241    1.8218    1.3099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8284    1.2965   -0.3771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3900    0.4201    1.2842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0185   -0.3467    2.1800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5166   -1.7271    0.1599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1170   -2.1014    0.7745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0485   -1.8580   -1.7195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3188   -0.2614   -1.5609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3886    0.6925   -0.5654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5836   -0.0066   -2.1763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0485   -0.1287    0.3724 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
  1 18  1  0
  1 19  1  0
  1 20  1  0
  2 21  1  0
  2 22  1  0
  3 23  1  0
  3 24  1  0
  4 25  1  0
  4 26  1  0
  5 27  1  0
  5 28  1  0
  6 29  1  0
  6 30  1  0
  7 31  1  0
  7 32  1  0
  8 33  1  0
  8 34  1  0
  9 35  1  0
  9 36  1  0
 10 37  1  0
 10 38  1  0
 11 39  1  0
 11 40  1  0
 12 41  1  0
 12 42  1  0
 13 43  1  0
 13 44  1  0
 14 45  1  0
 14 46  1  0
 17 47  1  0
M  END

Synonyms

Value	Source
15:00	ChEBI
C15	ChEBI
C15:0	ChEBI
N-Pentadecanoic acid	ChEBI
Pentadecylic acid	ChEBI
N-Pentadecanoate	Generator
Pentadecylate	Generator
Pentadecanoate	Generator
N-Pentadecylate	HMDB
N-Pentadecylic acid	HMDB
Pentadecyclate	HMDB
Pentadecyclic acid	HMDB
Pentadecanoic acid	MeSH
FA(15:0)	HMDB
14FA	PhytoBank

Molecular Formula

C₁₅H₃₀O₂

Average Mass

242.3975

Monoisotopic Mass

242.224580204

IUPAC Name

pentadecanoic acid

Traditional Name

pentadecanoic acid

CAS Registry Number

Not Available

SMILES

CCCCCCCCCCCCCCC(O)=O

InChI Identifier

InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)

InChI Key

WQEPLUUGTLDZJY-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acids and conjugates

Direct Parent

Long-chain fatty acids

Alternative Parents

Substituents

Long-chain fatty acid
Straight chain fatty acid
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

long-chain fatty acid (CHEBI:42504 )
straight-chain saturated fatty acid (CHEBI:42504 )
Straight chain fatty acids (C16537 )
Straight chain fatty acids (LMFA01010015 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	0.00033 g/L	ALOGPS
logP	6.65	ALOGPS
logP	5.81	ChemAxon
logS	-5.9	ALOGPS
pKa (Strongest Acidic)	4.95	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	37.3 Å²	ChemAxon
Rotatable Bond Count	13	ChemAxon
Refractivity	72.48 m³·mol⁻¹	ChemAxon
Polarizability	32.23 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Chromatographic Retention Times and Retention Indices

Retention Times

Not Available

Retention Indices

Not Available

Chromatographic Retention Times and Retention Indices

Retention Times

Not Available

Retention Indices

Not Available

Biological Properties

Cellular Locations

Cytoplasm
Extracellular
Membrane

Biospecimen Locations

Adipose Tissue
Blood
Feces
Saliva
Sweat
Urine

Tissue Locations

Adipose Tissue

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0191709	Fatty acid synthase	Enzyme	P49327	Homo_sapiens
MMDBp0191732	Calcium-dependent phospholipase A2	Unknown	P39877	Homo_sapiens
MMDBp0191733	Group IIF secretory phospholipase A2	Unknown	Q9BZM2	Homo_sapiens
MMDBp0191734	Cytosolic phospholipase A2	Unknown	P47712	Homo_sapiens
MMDBp0191735	Phospholipase A2	Unknown	P04054	Homo_sapiens
MMDBp0191737	Group 10 secretory phospholipase A2	Unknown	O15496	Homo_sapiens
MMDBp0191738	Galactoside-binding soluble lectin 13	Enzyme	Q9UHV8	Homo_sapiens
MMDBp0191739	Group IIE secretory phospholipase A2	Unknown	Q9NZK7	Homo_sapiens
MMDBp0191741	Group XIIA secretory phospholipase A2	Unknown	Q9BZM1	Homo_sapiens
MMDBp0191742	85/88 kDa calcium-independent phospholipase A2	Unknown	O60733	Homo_sapiens
MMDBp0191744	Eosinophil lysophospholipase	Enzyme	Q05315	Homo_sapiens
MMDBp0191745	Phospholipase A2, membrane associated	Unknown	P14555	Homo_sapiens
MMDBp0191746	Group IID secretory phospholipase A2	Unknown	Q9UNK4	Homo_sapiens
MMDBp0191891	Pancreatic triacylglycerol lipase	Enzyme	P16233	Homo_sapiens
MMDBp0191896	Hepatic triacylglycerol lipase	Enzyme	P11150	Homo_sapiens
MMDBp0191899	Inactive pancreatic lipase-related protein 1	Enzyme	P54315	Homo_sapiens
MMDBp0191902	Patatin-like phospholipase domain-containing protein 3	Enzyme	Q9NST1	Homo_sapiens
MMDBp0191906	Gastric triacylglycerol lipase	Enzyme	P07098	Homo_sapiens
MMDBp0191909	Endothelial lipase	Enzyme	Q9Y5X9	Homo_sapiens
MMDBp0191911	Bile salt-activated lipase	Unknown	P19835	Homo_sapiens
MMDBp0191915	Pancreatic lipase-related protein 2	Enzyme	P54317	Homo_sapiens
MMDBp0191980	Lipoprotein lipase	Enzyme	P06858	Homo_sapiens
MMDBp0192154	Liver carboxylesterase 1	Enzyme	P23141	Homo_sapiens
MMDBp0192155	Cocaine esterase	Enzyme	O00748	Homo_sapiens
MMDBp0192174	Cholinesterase	Enzyme	P06276	Homo_sapiens
MMDBp0192178	Cytosolic phospholipase A2 gamma	Unknown	Q9UP65	Homo_sapiens
MMDBp0192180	Hormone-sensitive lipase	Unknown	Q05469	Homo_sapiens
MMDBp0192181	Group 3 secretory phospholipase A2	Unknown	Q9NZ20	Homo_sapiens
MMDBp0192198	Acylphosphatase-2	Enzyme	P14621	Homo_sapiens
MMDBp0192199	Acylphosphatase-1	Enzyme	P07311	Homo_sapiens
MMDBp0192200	Aminoacylase-1	Unknown	Q03154	Homo_sapiens
MMDBp0192201	Aspartoacylase	Enzyme	P45381	Homo_sapiens
MMDBp0192204	Aspartoacylase-2	Enzyme	Q96HD9	Homo_sapiens
MMDBp0192690	Acid ceramidase	Enzyme	Q13510	Homo_sapiens
MMDBp0192975	Homeodomain-interacting protein kinase 1	Enzyme	Q86Z02	Homo_sapiens
MMDBp0193442	Peroxisome proliferator-activated receptor gamma	Enzyme	P37231	Homo_sapiens
MMDBp0193706	Long-chain fatty acid transport protein 6	Enzyme	Q9Y2P4	Homo_sapiens
MMDBp0193832	Long-chain fatty acid transport protein 3	Enzyme	Q5K4L6	Homo_sapiens
MMDBp0193848	Patatin-like phospholipase domain-containing protein 4	Enzyme	P41247	Homo_sapiens
MMDBp0193856	Long-chain fatty acid transport protein 1	Transporter	Q6PCB7	Homo_sapiens
MMDBp0194042	Long-chain fatty acid transport protein 4	Enzyme	Q6P1M0	Homo_sapiens
MMDBp0194096	60 kDa lysophospholipase	Enzyme	Q86U10	Homo_sapiens
MMDBp0194097	Phospholipase B1, membrane-associated	Unknown	Q6P1J6	Homo_sapiens
MMDBp0194141	Patatin-like phospholipase domain-containing protein 2	Enzyme	Q96AD5	Homo_sapiens
MMDBp0194634	Cytosolic phospholipase A2 delta	Unknown	Q86XP0	Homo_sapiens
MMDBp0194635	Cytosolic phospholipase A2 epsilon	Unknown	Q3MJ16	Homo_sapiens
MMDBp0194636	Cytosolic phospholipase A2 zeta	Unknown	Q68DD2	Homo_sapiens
MMDBp0194716	Calcium-independent phospholipase A2-gamma	Unknown	Q9NP80	Homo_sapiens
MMDBp0195865	Cytosolic phospholipase A2 beta	Unknown	P0C869	Homo_sapiens
MMDBp0195879	Putative neutral ceramidase C	Enzyme	P0C7U2	Homo_sapiens
MMDBp0195880	Alkaline ceramidase 2	Enzyme	Q5QJU3	Homo_sapiens
MMDBp0195881	Neutral ceramidase	Enzyme	Q9NR71	Homo_sapiens
MMDBp0196170	Carboxylesterase 5A	Enzyme	Q6NT32	Homo_sapiens
MMDBp0196227	Alkaline ceramidase 1	Enzyme	Q8TDN7	Homo_sapiens
MMDBp0196265	Neuropathy target esterase	Enzyme	Q8IY17	Homo_sapiens
MMDBp0196452	Pancreatic lipase-related protein 3	Enzyme	Q17RR3	Homo_sapiens
MMDBp0196526	Carnitine palmitoyltransferase 1B isoform a variant	Enzyme	Q53FV7	Homo_sapiens
MMDBp0196527	Carboxylesterase 3	Enzyme	Q6UWW8	Homo_sapiens
MMDBp0191673	CREB3L2-PPARgamma	Enzyme	Q86WD1	Escherichia coli
MMDBp0196546	ADFP protein	Unknown	Q6FHZ7	Homo_sapiens
MMDBp0196547	Peroxisome proliferator activated-receptor gamma	Unknown	Q9UEF6	Homo_sapiens
MMDBp0196548	Peroxisome proliferative activated receptor gamma isoform 2 variant	Unknown	Q53EW1	Homo_sapiens
MMDBp0196549	CPT1B protein	Unknown	A2RRE8	Homo_sapiens
MMDBp0196550	Peroxisome proliferator-activated receptor	Unknown	Q6L9M1	Homo_sapiens
MMDBp0196551	CPT1B protein	Unknown	A5PLL0	Homo_sapiens

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Not Available

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria	Firmicutes	3	Human feces	Indirect association between microbiota composition and metabolites measured in host biospecimen
Eukaryota/Fungi	Ascomycota	2

Exposure Sources

Food Exposures

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified						HMDB
Human	Detected and Quantified	0.653	0.004	Adult (>18 years old)	Both	Normal	HMDB	20671299
Human	Detected and Quantified	1.34	0.91	Adult (>18 years old)	Both	Normal	HMDB	21359215
Human	Detected and Quantified	150	50	Adult (>18 years old)	Female	Normal	HMDB	17868488
Human	Detected and Quantified	2.692	0.510	Adult (>18 years old)	Both	Normal	HMDB	18953024
Human	Detected and Quantified	2.692	0.510	Adult (>18 years old)	Both	Normal	HMDB	21359215
Human	Detected and Quantified	220	50	Adult (>18 years old)	Female	Normal	HMDB	17868488
Human	Detected and Quantified	230	60	Adult (>18 years old)	Female	Normal	HMDB	17868488
Human Adipose Tissue	Detected but not Quantified			Not Specified	Not Specified	Normal	HMDB	34986597
Human Saliva	Detected but not Quantified			Adult (>18 years old)	Both	Normal	HMDB	20809147
Human Saliva	Detected but not Quantified			Adult (>18 years old)	Not Specified	Normal	HMDB	24421258
Human Feces	Detected but not Quantified			Not Specified	Not Specified	Normal	HMDB	19573517
Human Feces	Detected but not Quantified			Adult (>18 years old)	Both	Normal	HMDB	24029555
Human Feces	Detected but not Quantified			Infant (0-1 year old)	NULL	Normal	HMDB	24628373
Human Blood	Detected but not Quantified			Adult (>18 years old)	Both	Normal	HMDB	24789758
Human Feces	Detected but not Quantified			Infant (0-1 year old)	Not Specified	Normal	HMDB	24628373
Human Feces	Detected but not Quantified			Infant (0-1 year old)	Not Specified	Normal	HMDB	24628373
Human Sweat	Detected but not Quantified			Adult	Both	Normal	HMDB	26755145
Human Blood	Detected but not Quantified			Adult (>18 years old)	Both	Normal	HMDB	24740205
Human Blood	Detected but not Quantified			Adult (>18 years old)	Female	Normal	HMDB	27355821
Human Feces	Detected but not Quantified			Adult (>18 years old)	Both	Normal	HMDB	27543620
Human Feces	Detected but not Quantified			Adult (>18 years old)	Both	Normal	HMDB	25037050
Human Feces	Detected but not Quantified			Adult (>18 years old)	Both	Normal	HMDB	29808030
Human Urine	Detected but not Quantified			Adult (>18 years old)	Both	Normal	HMDB	32966057
Human Blood	Detected but not Quantified			Adult (>18 years old)	Both	Normal	HMDB	32966057

External Links

HMDB ID

HMDB0000826

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

Not Available

BiGG ID

Wikipedia Link

METLIN ID

PubChem Compound

PDB ID

Not Available

ChEBI ID

42504

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Bauwens K, Jacobi CA, Gellert K, Aurisch R, Zieren HU: [Diagnosis and therapy of postoperative chyloperitoneum]. Chirurg. 1996 Jun;67(6):658-60. [PubMed:8767101 ]
Wolk A, Vessby B, Ljung H, Barrefors P: Evaluation of a biological marker of dairy fat intake. Am J Clin Nutr. 1998 Aug;68(2):291-5. doi: 10.1093/ajcn/68.2.291. [PubMed:9701185 ]
Wolk A, Furuheim M, Vessby B: Fatty acid composition of adipose tissue and serum lipids are valid biological markers of dairy fat intake in men. J Nutr. 2001 Mar;131(3):828-33. doi: 10.1093/jn/131.3.828. [PubMed:11238766 ]
Jong MC, Voshol PJ, Muurling M, Dahlmans VE, Romijn JA, Pijl H, Havekes LM: Protection from obesity and insulin resistance in mice overexpressing human apolipoprotein C1. Diabetes. 2001 Dec;50(12):2779-85. doi: 10.2337/diabetes.50.12.2779. [PubMed:11723061 ]
Nanasato M, Hirayama H, Ando A, Isobe S, Nonokawa M, Kinoshita Y, Nanbu I, Yokota M, Murohara T: Incremental predictive value of myocardial scintigraphy with 123I-BMIPP in patients with acute myocardial infarction treated with primary percutaneous coronary intervention. Eur J Nucl Med Mol Imaging. 2004 Nov;31(11):1512-21. doi: 10.1007/s00259-004-1556-3. Epub 2004 Jul 1. [PubMed:15232655 ]
Matsuo S, Nakamura Y, Nakae I, Matsumoto T, Takada M, Murata K, Horie M: Scintigraphic evaluation of cardiac metabolism in multicentric Castleman's disease. Intern Med. 2004 Jun;43(6):490-2. doi: 10.2169/internalmedicine.43.490. [PubMed:15283185 ]
Tani T, Teragaki M, Watanabe H, Muro T, Yamagishi H, Akioka K, Yoshiyama M, Takeuchi K, Yoshikawa J: Detecting viable myocardium and predicting functional improvement: comparisons of positron emission tomography, rest-redistribution thallium-201 single-photon emission computed tomography (SPECT), exercise thallium-201 reinjection SPECT, I-123 BMIPP SPECT and dobutamine stress echocardiography. Circ J. 2004 Oct;68(10):950-7. doi: 10.1253/circj.68.950. [PubMed:15459470 ]
Akutsu Y, Kodama Y, Nishimura H, Kinohira Y, Li HL, Yamanaka H, Kayano H, Hamazaki Y, Shinozuka A, Katagiri T: Contractile reserve, thallium-201 reverse redistribution and mismatch between perfusion and metabolism in reperfused infarct-related myocardium with delayed and incomplete functional recovery. Jpn Heart J. 2004 Sep;45(5):739-48. doi: 10.1536/jhj.45.739. [PubMed:15557715 ]
Seki H, Toyama T, Higuchi K, Kasama S, Ueda T, Seki R, Hatori T, Endo K, Kurabayashi M: Prediction of functional improvement of ischemic myocardium with (123I-BMIPP SPECT and 99mTc-tetrofosmin SPECT imaging: a study of patients with large acute myocardial infarction and receiving revascularization therapy. Circ J. 2005 Mar;69(3):311-9. doi: 10.1253/circj.69.311. [PubMed:15731537 ]

Showing metabocard for Pentadecanoic acid (MMDBc0000551)

MOL for #<Metabolite:0x00007f121163bd00>

3D MOL for #<Metabolite:0x00007f121163bd00>

3D SDF for #<Metabolite:0x00007f121163bd00>

3D-SDF for #<Metabolite:0x00007f121163bd00>

PDB for #<Metabolite:0x00007f121163bd00>

3D PDB for #<Metabolite:0x00007f121163bd00>

SMILES for #<Metabolite:0x00007f121163bd00>

INCHI for #<Metabolite:0x00007f121163bd00>

Structure for #<Metabolite:0x00007f121163bd00>

3D Structure for #<Metabolite:0x00007f121163bd00>