MiMeDB: Showing metabocard for Lyso-PS(0:0/16:0) (MMDBc0045176)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-19 13:36:10 UTC

Update Date

2022-09-01 00:59:08 UTC

MiMeDB ID

MMDBc0045176

Metabolite Identification

Common Name

Lyso-PS(0:0/16:0)

Description

Lyso-PS(0:0/16:0) is a lysophospholipid. The term 'lysophospholipid' (LPL) refers to any phospholipid that is missing one of its two O-acyl chains. Thus, LPLs have a free alcohol in either the sn-1 or sn-2 position.Lyso-PS(0:0/16:0), in particular, consists of one hexadecanoyl chain. The prefix 'lyso-' comes from the fact that lysophospholipids were originally found to be hemolytic however it is now used to refer generally to phospholipids missing an acyl chain. LPLs are usually the result of phospholipase A-type enzymatic activity on regular phospholipids such as phosphatidylcholine or phosphatidic acid, although they can also be generated by the acylation of glycerophospholipids or the phosphorylation of monoacylglycerols. Some LPLs serve important signaling functions such as lysophosphatidic acid. Lysophosphatidylserines (LPSs) enhance glucose transport, lowering blood glucose levels while leaving secretion of insulin unaffected. LPSs have been known as a signaling phospholipid in mast cell biology. They enhance stimulated histamine release and eicosanoid production. LPSs also play a roles in the promotion of phagocytosis of apoptotic cells and resolution of inflammation.

Structure

MOL SDF PDB SMILES InChI

Lyso-PS(0:0/16:0)
  Mrv1652307071619222D          

 33 32  0  0  1  0            999 V2000
   26.4292   -5.1787    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   25.7148   -4.7662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0003   -5.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2858   -4.7662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5713   -5.1787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.8568   -5.1531    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   25.7148   -3.9412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.0003   -6.0037    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   22.8568   -4.3281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.8568   -5.9781    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   22.0317   -5.1531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.3173   -4.7406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6028   -5.1531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8883   -4.7406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1738   -5.1531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6028   -5.9781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.8883   -6.3906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8883   -7.1621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1742   -5.9775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4600   -6.3906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7459   -5.9775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0317   -6.3906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3176   -5.9775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6034   -6.3906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8893   -5.9775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1752   -6.3906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4611   -5.9775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7469   -6.3906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0328   -5.9775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3186   -6.3906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6045   -5.9775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8903   -6.3906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1762   -5.9775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 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
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  CHG  3   1  -1   8   1  10  -1
M  END

Lyso-PS(0:0/16:0)
  Mrv1652307071619222D          

 33 32  0  0  1  0            999 V2000
   26.4292   -5.1787    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   25.7148   -4.7662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0003   -5.1787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2858   -4.7662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5713   -5.1787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.8568   -5.1531    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   25.7148   -3.9412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.0003   -6.0037    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   22.8568   -4.3281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.8568   -5.9781    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   22.0317   -5.1531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.3173   -4.7406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6028   -5.1531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8883   -4.7406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1738   -5.1531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6028   -5.9781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.8883   -6.3906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8883   -7.1621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1742   -5.9775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4600   -6.3906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7459   -5.9775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0317   -6.3906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3176   -5.9775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6034   -6.3906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8893   -5.9775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1752   -6.3906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4611   -5.9775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7469   -6.3906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0328   -5.9775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3186   -6.3906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6045   -5.9775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8903   -6.3906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1762   -5.9775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  6 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
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  CHG  3   1  -1   8   1  10  -1
M  END
> <DATABASE_ID>
MMDBc0045176

> <DATABASE_NAME>
MIME

> <SMILES>
CCCCCCCCCCCCCCCC(=O)OC(CO)COP([O-])(=O)OCC([NH3+])C([O-])=O

> <INCHI_IDENTIFIER>
InChI=1S/C22H44NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(25)32-19(16-24)17-30-33(28,29)31-18-20(23)22(26)27/h19-20,24H,2-18,23H2,1H3,(H,26,27)(H,28,29)/p-1

> <INCHI_KEY>
XLEIZQCSNLLRTK-UHFFFAOYSA-M

> <FORMULA>
C22H43NO9P

> <MOLECULAR_WEIGHT>
496.558

> <EXACT_MASS>
496.268092547

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
76

> <JCHEM_AVERAGE_POLARIZABILITY>
54.9129154157896

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
-1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-azaniumyl-3-{[2-(hexadecanoyloxy)-3-hydroxypropyl phosphono]oxy}propanoate

> <ALOGPS_LOGP>
3.25

> <JCHEM_LOGP>
2.5724511664904703

> <ALOGPS_LOGS>
-5.37

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
2.178398727506885

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.4680358403778873

> <JCHEM_PKA_STRONGEST_BASIC>
9.376601744338968

> <JCHEM_POLAR_SURFACE_AREA>
172.89

> <JCHEM_REFRACTIVITY>
144.2506

> <JCHEM_ROTATABLE_BOND_COUNT>
24

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.40e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-ammonio-3-{[2-(hexadecanoyloxy)-3-hydroxypropyl phosphono]oxy}propanoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-JUL-16   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: Lyso-PS(0:0/16:0)                                 
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-JUL-16         0                                  
HETATM    1  O   UNK     0      49.335  -9.667   0.000  0.00  0.00           O-1
HETATM    2  C   UNK     0      48.001  -8.897   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      46.667  -9.667   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      45.333  -8.897   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      44.000  -9.667   0.000  0.00  0.00           O+0
HETATM    6  P   UNK     0      42.666  -9.619   0.000  0.00  0.00           P+0
HETATM    7  O   UNK     0      48.001  -7.357   0.000  0.00  0.00           O+0
HETATM    8  N   UNK     0      46.667 -11.207   0.000  0.00  0.00           N+1
HETATM    9  O   UNK     0      42.666  -8.079   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      42.666 -11.159   0.000  0.00  0.00           O-1
HETATM   11  O   UNK     0      41.126  -9.619   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      39.792  -8.849   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      38.459  -9.619   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      37.125  -8.849   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      35.791  -9.619   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0      38.459 -11.159   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      37.125 -11.929   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      37.125 -13.369   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      35.792 -11.158   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      34.459 -11.929   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      33.126 -11.158   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      31.793 -11.929   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      30.460 -11.158   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      29.126 -11.929   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      27.793 -11.158   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      26.460 -11.929   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      25.127 -11.158   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      23.794 -11.929   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      22.461 -11.158   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      21.128 -11.929   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      19.795 -11.158   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      18.462 -11.929   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      17.129 -11.158   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3    7                                                  
CONECT    3    2    4    8                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    9   10   11                                             
CONECT    7    2                                                            
CONECT    8    3                                                            
CONECT    9    6                                                            
CONECT   10    6                                                            
CONECT   11    6   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   16                                                  
CONECT   14   13   15                                                       
CONECT   15   14                                                            
CONECT   16   13   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32                                                            
MASTER        0    0    0    0    0    0    0    0   33    0   64    0
END

Synonyms

Not Available

Chemical Formula

C₂₂H₄₃NO₉P

Average Molecular Weight

496.558

Monoisotopic Molecular Weight

496.268092547

IUPAC Name

2-azaniumyl-3-{[2-(hexadecanoyloxy)-3-hydroxypropyl phosphono]oxy}propanoate

Traditional Name

2-ammonio-3-{[2-(hexadecanoyloxy)-3-hydroxypropyl phosphono]oxy}propanoate

CAS Registry Number

Not Available

SMILES

CCCCCCCCCCCCCCCC(=O)OC(CO)COP([O-])(=O)OCC([NH3+])C([O-])=O

InChI Identifier

InChI=1S/C22H44NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(25)32-19(16-24)17-30-33(28,29)31-18-20(23)22(26)27/h19-20,24H,2-18,23H2,1H3,(H,26,27)(H,28,29)/p-1

InChI Key

XLEIZQCSNLLRTK-UHFFFAOYSA-M

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 2-acyl-glycerol-3-phosphoserines. These are monoacylglycerol-3-phosphoserines with a fatty acyl chain linked to the O2-atom of the glycerol moiety.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Glycerophospholipids

Sub Class

Glycerophosphoserines

Direct Parent

2-acyl-glycerol-3-phosphoserines

Alternative Parents

Substituents

2-monoacyl-glycerol-3-phosphoserine
Alpha-amino acid or derivatives
Alpha-amino acid
Dialkyl phosphate
Fatty acid ester
Fatty acyl
Alkyl phosphate
Phosphoric acid ester
Organic phosphoric acid derivative
Dicarboxylic acid or derivatives
Amino acid
Carboxylic acid salt
Carboxylic acid ester
Amino acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organic salt
Primary amine
Primary alcohol
Organooxygen compound
Organonitrogen compound
Primary aliphatic amine
Carbonyl group
Amine
Alcohol
Organic anion
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Property	Value	Source
Water Solubility	0.0024 g/L	ALOGPS
logP	3.25	ALOGPS
logP	2.57	ChemAxon
logS	-5.4	ALOGPS
pKa (Strongest Acidic)	1.47	ChemAxon
pKa (Strongest Basic)	9.38	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	172.89 Å²	ChemAxon
Rotatable Bond Count	24	ChemAxon
Refractivity	144.25 m³·mol⁻¹	ChemAxon
Polarizability	54.91 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0a6v-1380900000-857ea18d219cb5db4aa7	2019-02-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-00pu-2941200000-144c2b9a62712265c4d2	2019-02-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-003r-9520000000-cbd408261b2eaf5f31a8	2019-02-23	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, H₂O, predicted)		Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)		Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)		Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, H₂O, predicted)		Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)		Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, H₂O, predicted)		Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)		Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, predicted)		Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)		Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, H₂O, predicted)		Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)		Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, H₂O, predicted)		Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)		Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, H₂O, predicted)		Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)		Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, H₂O, predicted)		Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)		Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, H₂O, predicted)		Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)		Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Proteins

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Not Available

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Related Health Condition	Evidence Type	Measured in Matrix	Data Source	Reference

Microbial Sources

Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Fungi	Ascomycota	1	Human Feces	Unknown

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference	Details

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Rattray JB, Schibeci A, Kidby DK: Lipids of yeasts. Bacteriol Rev. 1975 Sep;39(3):197-231. doi: 10.1128/br.39.3.197-231.1975. [PubMed:240350 ]

Showing metabocard for Lyso-PS(0:0/16:0) (MMDBc0045176)

MOL for #<Metabolite:0x00007f08fc080b40>

3D MOL for #<Metabolite:0x00007f08fc080b40>

3D SDF for #<Metabolite:0x00007f08fc080b40>

3D-SDF for #<Metabolite:0x00007f08fc080b40>

PDB for #<Metabolite:0x00007f08fc080b40>

3D PDB for #<Metabolite:0x00007f08fc080b40>

SMILES for #<Metabolite:0x00007f08fc080b40>

INCHI for #<Metabolite:0x00007f08fc080b40>

Structure for #<Metabolite:0x00007f08fc080b40>

3D Structure for #<Metabolite:0x00007f08fc080b40>