MiMeDB: Showing metabocard for (2S)-lactyl-2-diphospho-5'-guanosine (MMDBc0054059)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2022-06-05 22:49:17 UTC

Update Date

2022-09-01 02:26:53 UTC

Metabolite ID

MMDBc0054059

Metabolite Identification

Common Name

(2S)-lactyl-2-diphospho-5'-guanosine

Description

Structure

MOL SDF PDB SMILES InChI

 
  Mrv1533006051500522D          
 
 33 35  0  0  1  0            999 V2000
   22.2348  -13.8295    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.8973  -14.2435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4895  -14.0779    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   22.5246  -13.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6012  -13.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9801  -15.1130    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.8270  -13.5810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.2411  -14.8232    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   23.3941  -13.0013    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.3465  -14.0365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7668  -15.4443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1645  -14.0365    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.4129  -14.8232    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.6965  -15.4857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.4707  -14.9474    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.0090  -13.5810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.8496  -16.2724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3778  -13.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1645  -15.6099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7567  -14.3263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9286  -14.3263    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   17.1005  -14.3263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9286  -15.1544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9286  -13.4982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3138  -14.3263    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   16.3138  -15.1544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3138  -13.4982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4857  -14.3263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7685  -13.9123    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.0614  -14.3206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7685  -13.0843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3590  -13.9152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0613  -15.1543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  1  0  0  0
 13 19  1  6  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  2  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
  5  9  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  6  0  0  0
 30 32  2  0  0  0  0
 30 33  1  0  0  0  0
M  END

 
  Mrv1533006051500522D          
 
 33 35  0  0  1  0            999 V2000
   22.2348  -13.8295    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.8973  -14.2435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4895  -14.0779    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   22.5246  -13.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6012  -13.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9801  -15.1130    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.8270  -13.5810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.2411  -14.8232    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   23.3941  -13.0013    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.3465  -14.0365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7668  -15.4443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1645  -14.0365    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   20.4129  -14.8232    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   21.6965  -15.4857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.4707  -14.9474    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.0090  -13.5810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.8496  -16.2724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3778  -13.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1645  -15.6099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7567  -14.3263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9286  -14.3263    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   17.1005  -14.3263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9286  -15.1544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9286  -13.4982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3138  -14.3263    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   16.3138  -15.1544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3138  -13.4982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4857  -14.3263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7685  -13.9123    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.0614  -14.3206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7685  -13.0843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3590  -13.9152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0613  -15.1543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  1  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  6  0  0  0
 10 15  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  1  0  0  0
 13 19  1  6  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  2  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
  5  9  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  6  0  0  0
 30 32  2  0  0  0  0
 30 33  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0054059

> <DATABASE_NAME>
MIME

> <SMILES>
C[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=C(N)NC2=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C13H19N5O13P2/c1-4(12(22)23)30-33(26,27)31-32(24,25)28-2-5-7(19)8(20)11(29-5)18-3-15-6-9(18)16-13(14)17-10(6)21/h3-5,7-8,11,19-20H,2H2,1H3,(H,22,23)(H,24,25)(H,26,27)(H3,14,16,17,21)/t4-,5+,7+,8+,11+/m0/s1

> <INCHI_KEY>
JAIRGSHHKMPRGE-LJRSMJOYSA-N

> <FORMULA>
C13H19N5O13P2

> <MOLECULAR_WEIGHT>
515.265

> <EXACT_MASS>
515.045459688

> <JCHEM_ACCEPTOR_COUNT>
13

> <JCHEM_ATOM_COUNT>
52

> <JCHEM_AVERAGE_POLARIZABILITY>
41.520542072428626

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-({[({[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)propanoic acid

> <ALOGPS_LOGP>
-1.57

> <JCHEM_LOGP>
-2.8268744329999995

> <ALOGPS_LOGS>
-2.09

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-3

> <JCHEM_PKA>
3.04608084347488

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.8060963554258542

> <JCHEM_PKA_STRONGEST_BASIC>
-1.8558616422330965

> <JCHEM_POLAR_SURFACE_AREA>
274.5799999999999

> <JCHEM_REFRACTIVITY>
101.42769999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
9

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.15e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-2-[({[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]propanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-JUN-15   NONE
TITLE     NULL                                                        
COMPND    MOLECULE:                                                   
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-JUN-15         0                                  
HETATM    1  N   UNK     0      41.505 -25.815   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0      42.742 -26.588   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      40.114 -26.279   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      42.046 -24.269   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      44.056 -25.583   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0      42.896 -28.211   0.000  0.00  0.00           N+0
HETATM    7  O   UNK     0      38.877 -25.351   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      39.650 -27.670   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0      43.669 -24.269   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0      45.447 -26.201   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      44.365 -28.829   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      37.640 -26.201   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      38.104 -27.670   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      40.500 -28.907   0.000  0.00  0.00           O+0
HETATM   15  N   UNK     0      45.679 -27.902   0.000  0.00  0.00           N+0
HETATM   16  O   UNK     0      46.683 -25.351   0.000  0.00  0.00           O+0
HETATM   17  N   UNK     0      44.519 -30.375   0.000  0.00  0.00           N+0
HETATM   18  C   UNK     0      36.172 -25.738   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      37.640 -29.138   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      35.013 -26.742   0.000  0.00  0.00           O+0
HETATM   21  P   UNK     0      33.467 -26.742   0.000  0.00  0.00           P+0
HETATM   22  O   UNK     0      31.921 -26.742   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      33.467 -28.288   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      33.467 -25.197   0.000  0.00  0.00           O+0
HETATM   25  P   UNK     0      30.452 -26.742   0.000  0.00  0.00           P+0
HETATM   26  O   UNK     0      30.452 -28.288   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      30.452 -25.197   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      28.907 -26.742   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      27.568 -25.970   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      26.248 -26.732   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      27.568 -24.424   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      24.937 -25.975   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      26.248 -28.288   0.000  0.00  0.00           O+0
CONECT    1    2    3    4                                                  
CONECT    2    1    5    6                                                  
CONECT    3    1    7    8                                                  
CONECT    4    1    9                                                       
CONECT    5    2   10    9                                                  
CONECT    6    2   11                                                       
CONECT    7    3   12                                                       
CONECT    8    3   13   14                                                  
CONECT    9    4    5                                                       
CONECT   10    5   15   16                                                  
CONECT   11    6   17   15                                                  
CONECT   12    7   18   13                                                  
CONECT   13    8   19   12                                                  
CONECT   14    8                                                            
CONECT   15   10   11                                                       
CONECT   16   10                                                            
CONECT   17   11                                                            
CONECT   18   12   20                                                       
CONECT   19   13                                                            
CONECT   20   18   21                                                       
CONECT   21   20   22   23   24                                             
CONECT   22   21   25                                                       
CONECT   23   21                                                            
CONECT   24   21                                                            
CONECT   25   22   26   27   28                                             
CONECT   26   25                                                            
CONECT   27   25                                                            
CONECT   28   25   29                                                       
CONECT   29   28   30   31                                                  
CONECT   30   29   32   33                                                  
CONECT   31   29                                                            
CONECT   32   30                                                            
CONECT   33   30                                                            
MASTER        0    0    0    0    0    0    0    0   33    0   70    0
END

Synonyms

Value	Source
(2S)-Lactyl-2-diphospho-5'-guanosine	ChEBI
(S)-Lactyl-2-diphospho-5'-guanosine	ChEBI

Molecular Formula

C₁₃H₁₉N₅O₁₃P₂

Average Mass

515.265

Monoisotopic Mass

515.045459688

IUPAC Name

(2S)-2-({[({[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)propanoic acid

Traditional Name

(2S)-2-[({[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxy]propanoic acid

CAS Registry Number

Not Available

SMILES

C[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C1N=C(N)NC2=O)C(O)=O

InChI Identifier

InChI=1S/C13H19N5O13P2/c1-4(12(22)23)30-33(26,27)31-32(24,25)28-2-5-7(19)8(20)11(29-5)18-3-15-6-9(18)16-13(14)17-10(6)21/h3-5,7-8,11,19-20H,2H2,1H3,(H,22,23)(H,24,25)(H,26,27)(H3,14,16,17,21)/t4-,5+,7+,8+,11+/m0/s1

InChI Key

JAIRGSHHKMPRGE-LJRSMJOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Purine nucleotides

Sub Class

Purine ribonucleotides

Direct Parent

Purine ribonucleoside diphosphates

Alternative Parents

Substituents

Purine ribonucleoside diphosphate
Purine ribonucleoside monophosphate
Pentose phosphate
Pentose-5-phosphate
Glycosyl compound
N-glycosyl compound
6-oxopurine
Hypoxanthine
Monosaccharide phosphate
Organic pyrophosphate
Pentose monosaccharide
Imidazopyrimidine
Purine
Monoalkyl phosphate
Aminopyrimidine
Pyrimidone
Alkyl phosphate
Monosaccharide
N-substituted imidazole
Organic phosphoric acid derivative
Phosphoric acid ester
Pyrimidine
Vinylogous amide
Azole
Tetrahydrofuran
Imidazole
Heteroaromatic compound
Secondary alcohol
Amino acid or derivatives
1,2-diol
Amino acid
Carboxylic acid derivative
Organoheterocyclic compound
Carboxylic acid
Azacycle
Monocarboxylic acid or derivatives
Oxacycle
Organic oxygen compound
Alcohol
Amine
Organonitrogen compound
Carbonyl group
Organooxygen compound
Organic nitrogen compound
Primary amine
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

carboxyalkyl phosphate (CHEBI:59436 )
guanosines (CHEBI:59436 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	4.15 g/L	ALOGPS
logP	-1.6	ALOGPS
logP	-2.8	ChemAxon
logS	-2.1	ALOGPS
pKa (Strongest Acidic)	1.81	ChemAxon
pKa (Strongest Basic)	-1.9	ChemAxon
Physiological Charge	-3	ChemAxon
Hydrogen Acceptor Count	13	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	274.58 Å²	ChemAxon
Rotatable Bond Count	9	ChemAxon
Refractivity	101.43 m³·mol⁻¹	ChemAxon
Polarizability	41.52 Å³	ChemAxon
Number of Rings	3	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 (TMS_4_34) - 70eV, Positive	Not Available	2022-08-08	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0uk9-9600400000-a6c8c093d4003d54ec88	2019-02-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0udi-1900000000-72438457c4e49e6ff8bc	2019-02-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0ufr-6900000000-7af926ce71debd4a4dad	2019-02-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0ika-0930680000-b89189abd12584fc08fe	2019-02-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0udi-2920100000-1f465298ade0d971a044	2019-02-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0zir-6900000000-b952dc39ec4a5f009f53	2019-02-23	View Spectrum
MS	Mass Spectrum (Electron Ionization)	Not Available	2022-08-06	View 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

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

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
Archaea/Archaea	Euryarchaeota	40
Archaea	Euryarchaeota	3
Bacteria	Proteobacteria	1

Exposure Sources

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

C19155

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

25203722

PDB ID

Not Available

ChEBI ID

59436

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Bansal P, Morgat A, Axelsen KB, Muthukrishnan V, Coudert E, Aimo L, Hyka-Nouspikel N, Gasteiger E, Kerhornou A, Neto TB, Pozzato M, Blatter MC, Ignatchenko A, Redaschi N, Bridge A: Rhea, the reaction knowledgebase in 2022. Nucleic Acids Res. 2022 Jan 7;50(D1):D693-D700. doi: 10.1093/nar/gkab1016. [PubMed:34755880 ]

Showing metabocard for (2S)-lactyl-2-diphospho-5'-guanosine (MMDBc0054059)

MOL for #<Metabolite:0x00007fdb715cd858>

3D MOL for #<Metabolite:0x00007fdb715cd858>

3D SDF for #<Metabolite:0x00007fdb715cd858>

3D-SDF for #<Metabolite:0x00007fdb715cd858>

PDB for #<Metabolite:0x00007fdb715cd858>

3D PDB for #<Metabolite:0x00007fdb715cd858>

SMILES for #<Metabolite:0x00007fdb715cd858>

INCHI for #<Metabolite:0x00007fdb715cd858>

Structure for #<Metabolite:0x00007fdb715cd858>

3D Structure for #<Metabolite:0x00007fdb715cd858>