MiMeDB: Showing metabocard for Phosphoribosyl-AMP (MMDBc0029803)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-17 23:42:20 UTC

Update Date

2022-08-31 17:18:31 UTC

MiMeDB ID

MMDBc0029803

Metabolite Identification

Common Name

Phosphoribosyl-AMP

Description

Phosphoribosyl-AMP is a nucleic acid component, a purine-related compound. It is an intermediate in histidine biosynthesis. It is converted from Phosphoribosyl-ATP via the enzyme phosphoribosyl-ATP diphosphatase (EC 3.6.1.31). It is then converted to phosphoribosylformiminoAICAR-phosphate via the enzyme phosphoribosyl-AMP cyclohydrolase (EC 3.5.4.19).

Structure

MOL SDF PDB SMILES InChI


  Mrv0541 02241203542D          

 36 39  0  0  1  0            999 V2000
    9.2169  -10.5885    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8299  -11.1406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5024  -11.0010    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4944  -11.8942    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6739  -11.8080    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3031   -9.7680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0568   -9.4325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1430   -8.6120    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   10.9635   -8.6982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3225   -8.5257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2292   -7.7915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7487  -10.6655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1219  -12.4211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4944  -13.3232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9069  -12.6087    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9069  -14.0377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7319  -12.6087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7319  -14.0377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1444  -13.3232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2839  -14.6508    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0376  -14.3152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9514  -13.4948    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1124  -15.4578    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.6644  -16.0708    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.3587  -15.7933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2519  -16.7854    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4450  -16.6138    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.4850  -15.9846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5875  -17.5390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8319  -17.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0472  -16.9109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4341  -17.4629    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.8821  -16.8498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9862  -18.0760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8210  -18.0150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1444  -11.8942    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  5  4  1  0  0  0  0
  1  6  1  1  0  0  0
  7  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11  8  1  0  0  0  0
  7  8  1  0  0  0  0
  3 12  1  6  0  0  0
  5 13  1  6  0  0  0
 15 14  1  0  0  0  0
 16 14  2  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
 19 18  2  0  0  0  0
 21 20  1  0  0  0  0
 22 19  1  0  0  0  0
 22 21  2  0  0  0  0
 24 23  1  0  0  0  0
 25 23  1  0  0  0  0
 26 24  1  0  0  0  0
 27 25  1  0  0  0  0
 27 26  1  0  0  0  0
 23 20  1  1  0  0  0
 24 28  1  6  0  0  0
 26 29  1  6  0  0  0
 27 30  1  1  0  0  0
 31 30  1  0  0  0  0
 33 32  2  0  0  0  0
 34 32  1  0  0  0  0
 35 32  1  0  0  0  0
 31 32  1  0  0  0  0
 36 17  2  0  0  0  0
  4 15  1  6  0  0  0
M  END


  Mrv0541 02241203542D          

 36 39  0  0  1  0            999 V2000
    9.2169  -10.5885    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8299  -11.1406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5024  -11.0010    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4944  -11.8942    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.6739  -11.8080    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3031   -9.7680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0568   -9.4325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1430   -8.6120    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   10.9635   -8.6982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3225   -8.5257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2292   -7.7915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7487  -10.6655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1219  -12.4211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4944  -13.3232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9069  -12.6087    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9069  -14.0377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7319  -12.6087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7319  -14.0377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1444  -13.3232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2839  -14.6508    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0376  -14.3152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9514  -13.4948    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1124  -15.4578    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.6644  -16.0708    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.3587  -15.7933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2519  -16.7854    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4450  -16.6138    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.4850  -15.9846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5875  -17.5390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8319  -17.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0472  -16.9109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4341  -17.4629    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.8821  -16.8498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9862  -18.0760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8210  -18.0150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1444  -11.8942    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  5  4  1  0  0  0  0
  1  6  1  1  0  0  0
  7  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11  8  1  0  0  0  0
  7  8  1  0  0  0  0
  3 12  1  6  0  0  0
  5 13  1  6  0  0  0
 15 14  1  0  0  0  0
 16 14  2  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
 19 18  2  0  0  0  0
 21 20  1  0  0  0  0
 22 19  1  0  0  0  0
 22 21  2  0  0  0  0
 24 23  1  0  0  0  0
 25 23  1  0  0  0  0
 26 24  1  0  0  0  0
 27 25  1  0  0  0  0
 27 26  1  0  0  0  0
 23 20  1  1  0  0  0
 24 28  1  6  0  0  0
 26 29  1  6  0  0  0
 27 30  1  1  0  0  0
 31 30  1  0  0  0  0
 33 32  2  0  0  0  0
 34 32  1  0  0  0  0
 35 32  1  0  0  0  0
 31 32  1  0  0  0  0
 36 17  2  0  0  0  0
  4 15  1  6  0  0  0
M  END
> <DATABASE_ID>
MMDBc0029803

> <DATABASE_NAME>
MIME

> <SMILES>
O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CN([C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O)C2=N

> <INCHI_IDENTIFIER>
InChI=1S/C15H23N5O14P2/c16-12-7-13(18-4-19(12)14-10(23)8(21)5(33-14)1-31-35(25,26)27)20(3-17-7)15-11(24)9(22)6(34-15)2-32-36(28,29)30/h3-6,8-11,14-16,21-24H,1-2H2,(H2,25,26,27)(H2,28,29,30)/t5-,6-,8-,9-,10-,11-,14+,15-/m1/s1

> <INCHI_KEY>
RTQMRTSPTLIIHM-ZTRAZTMKSA-N

> <FORMULA>
C15H23N5O14P2

> <MOLECULAR_WEIGHT>
559.3157

> <EXACT_MASS>
559.071673493

> <JCHEM_ACCEPTOR_COUNT>
16

> <JCHEM_AVERAGE_POLARIZABILITY>
47.36369935890859

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[(2R,3S,4R,5R)-5-{1-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-6-imino-6,9-dihydro-1H-purin-9-yl}-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid

> <ALOGPS_LOGP>
-2.17

> <JCHEM_LOGP>
-4.149310210733646

> <ALOGPS_LOGS>
-1.94

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-4

> <JCHEM_PKA>
1.3143781972709245

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.8147047194117563

> <JCHEM_PKA_STRONGEST_BASIC>
5.949913710325414

> <JCHEM_POLAR_SURFACE_AREA>
290.16999999999996

> <JCHEM_REFRACTIVITY>
122.54389999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.38e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[(2R,3S,4R,5R)-5-{1-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-6-iminopurin-9-yl}-3,4-dihydroxyoxolan-2-yl]methoxyphosphonic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      17.205 -19.765   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      18.349 -20.796   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      15.871 -20.535   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      17.723 -22.203   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      16.191 -22.042   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      17.366 -18.234   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      18.773 -17.607   0.000  0.00  0.00           O+0
HETATM    8  P   UNK     0      18.934 -16.076   0.000  0.00  0.00           P+0
HETATM    9  O   UNK     0      20.465 -16.237   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      17.402 -15.915   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      19.095 -14.544   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0      14.464 -19.909   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0      15.161 -23.186   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      17.723 -24.870   0.000  0.00  0.00           C+0
HETATM   15  N   UNK     0      18.493 -23.536   0.000  0.00  0.00           N+0
HETATM   16  N   UNK     0      18.493 -26.204   0.000  0.00  0.00           N+0
HETATM   17  C   UNK     0      20.033 -23.536   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      20.033 -26.204   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      20.803 -24.870   0.000  0.00  0.00           C+0
HETATM   20  N   UNK     0      21.063 -27.348   0.000  0.00  0.00           N+0
HETATM   21  C   UNK     0      22.470 -26.722   0.000  0.00  0.00           C+0
HETATM   22  N   UNK     0      22.309 -25.190   0.000  0.00  0.00           N+0
HETATM   23  C   UNK     0      20.743 -28.855   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      21.774 -29.999   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      19.336 -29.481   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      21.004 -31.333   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      19.497 -31.012   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      23.305 -29.838   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      21.630 -32.739   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      18.353 -32.043   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      16.888 -31.567   0.000  0.00  0.00           O+0
HETATM   32  P   UNK     0      15.744 -32.597   0.000  0.00  0.00           P+0
HETATM   33  O   UNK     0      14.713 -31.453   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      16.774 -33.742   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0      14.599 -33.628   0.000  0.00  0.00           O+0
HETATM   36  N   UNK     0      20.803 -22.203   0.000  0.00  0.00           N+0
CONECT    1    2    3    6                                                  
CONECT    2    1    4                                                       
CONECT    3    1    5   12                                                  
CONECT    4    2    5   15                                                  
CONECT    5    3    4   13                                                  
CONECT    6    1    7                                                       
CONECT    7    6    8                                                       
CONECT    8    9   10   11    7                                             
CONECT    9    8                                                            
CONECT   10    8                                                            
CONECT   11    8                                                            
CONECT   12    3                                                            
CONECT   13    5                                                            
CONECT   14   15   16                                                       
CONECT   15   14   17    4                                                  
CONECT   16   14   18                                                       
CONECT   17   15   19   36                                                  
CONECT   18   16   20   19                                                  
CONECT   19   17   18   22                                                  
CONECT   20   18   21   23                                                  
CONECT   21   20   22                                                       
CONECT   22   19   21                                                       
CONECT   23   24   25   20                                                  
CONECT   24   23   26   28                                                  
CONECT   25   23   27                                                       
CONECT   26   24   27   29                                                  
CONECT   27   25   26   30                                                  
CONECT   28   24                                                            
CONECT   29   26                                                            
CONECT   30   27   31                                                       
CONECT   31   30   32                                                       
CONECT   32   33   34   35   31                                             
CONECT   33   32                                                            
CONECT   34   32                                                            
CONECT   35   32                                                            
CONECT   36   17                                                            
MASTER        0    0    0    0    0    0    0    0   36    0   78    0
END

Synonyms

Value	Source
1-(5-Phosphoribosyl)-AMP	HMDB
5-Phosphoribosyl-AMP	HMDB
N-(5'-Phospho-D-ribosyl)-AMP	HMDB
N-(5-Phospho-D-ribosyl)-AMP	HMDB
N1-(5-Phospho-D-ribosyl)-AMP	HMDB

Chemical Formula

C₁₅H₂₃N₅O₁₄P₂

Average Molecular Weight

559.3157

Monoisotopic Molecular Weight

559.071673493

IUPAC Name

{[(2R,3S,4R,5R)-5-{1-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-6-imino-6,9-dihydro-1H-purin-9-yl}-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid

Traditional Name

[(2R,3S,4R,5R)-5-{1-[(2S,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-6-iminopurin-9-yl}-3,4-dihydroxyoxolan-2-yl]methoxyphosphonic acid

CAS Registry Number

Not Available

SMILES

O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CN([C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O)C2=N

InChI Identifier

InChI=1S/C15H23N5O14P2/c16-12-7-13(18-4-19(12)14-10(23)8(21)5(33-14)1-31-35(25,26)27)20(3-17-7)15-11(24)9(22)6(34-15)2-32-36(28,29)30/h3-6,8-11,14-16,21-24H,1-2H2,(H2,25,26,27)(H2,28,29,30)/t5-,6-,8-,9-,10-,11-,14+,15-/m1/s1

InChI Key

RTQMRTSPTLIIHM-ZTRAZTMKSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Purine nucleotides

Sub Class

Purine ribonucleotides

Direct Parent

Purine ribonucleoside monophosphates

Alternative Parents

Substituents

Purine ribonucleoside monophosphate
Pentose phosphate
Pentose-5-phosphate
Glycosyl compound
N-glycosyl compound
Monosaccharide phosphate
Imidazopyrimidine
Purine
Monoalkyl phosphate
Monosaccharide
N-substituted imidazole
Organic phosphoric acid derivative
Phosphoric acid ester
Pyrimidine
Alkyl phosphate
Imidolactam
Heteroaromatic compound
Imidazole
Tetrahydrofuran
Azole
Secondary alcohol
Oxacycle
Organoheterocyclic compound
Azacycle
Organopnictogen compound
Alcohol
Organic oxide
Organic oxygen compound
Organonitrogen compound
Organooxygen compound
Hydrocarbon derivative
Organic nitrogen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Property	Value	Source
Water Solubility	6.38 g/L	ALOGPS
logP	-2.2	ALOGPS
logP	-4.1	ChemAxon
logS	-1.9	ALOGPS
pKa (Strongest Acidic)	0.81	ChemAxon
pKa (Strongest Basic)	5.95	ChemAxon
Physiological Charge	-4	ChemAxon
Hydrogen Acceptor Count	16	ChemAxon
Hydrogen Donor Count	9	ChemAxon
Polar Surface Area	290.17 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	122.54 m³·mol⁻¹	ChemAxon
Polarizability	47.36 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-00mn-9408870000-cc1baeed799987a186df	2017-09-01	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive	splash10-03dj-9300815000-bc458c0886b752d898df	2017-10-06	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-000t-0429120000-beecfdf73867149bf776	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-001i-0925000000-e85297f1f3428f363382	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-001j-0934000000-eac6a05d73b6fe7aa32c	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-054k-7409080000-3d9f7213b5a73bff11b8	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004j-9403000000-bb5b8f4886bc364f6d44	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-8be6c4a98ba2bf3f6c1d	2015-09-15	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

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

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
	Proteobacteria	1	Human	Unknown
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

HMDB0012276

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB028908

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

PHOSPHORIBOSYL-AMP

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

439795

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Wishart DS, Li C, Marcu A, Badran H, Pon A, Budinski Z, Patron J, Lipton D, Cao X, Oler E, Li K, Paccoud M, Hong C, Guo AC, Chan C, Wei W, Ramirez-Gaona M: PathBank: a comprehensive pathway database for model organisms. Nucleic Acids Res. 2020 Jan 8;48(D1):D470-D478. doi: 10.1093/nar/gkz861. [PubMed:31602464 ]

Showing metabocard for Phosphoribosyl-AMP (MMDBc0029803)

MOL for #<Metabolite:0x0000564abc0f8770>

3D MOL for #<Metabolite:0x0000564abc0f8770>

3D SDF for #<Metabolite:0x0000564abc0f8770>

3D-SDF for #<Metabolite:0x0000564abc0f8770>

PDB for #<Metabolite:0x0000564abc0f8770>

3D PDB for #<Metabolite:0x0000564abc0f8770>

SMILES for #<Metabolite:0x0000564abc0f8770>

INCHI for #<Metabolite:0x0000564abc0f8770>

Structure for #<Metabolite:0x0000564abc0f8770>

3D Structure for #<Metabolite:0x0000564abc0f8770>