MiMeDB: Showing metabocard for D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate (MMDBc0049951)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2022-04-29 22:46:57 UTC

Update Date

2022-09-01 02:17:31 UTC

Metabolite ID

MMDBc0049951

Metabolite Identification

Common Name

D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate

Description

D-Erythro-imidazole-glycerol-phosphate belongs to the class of organic compounds known as monoalkyl phosphates. These are organic compounds containing a phosphate group that is linked to exactly one alkyl chain. D-Erythro-imidazole-glycerol-phosphate exists in all living species, ranging from bacteria to plants to humans. D-Erythro-imidazole-glycerol-phosphate has been detected, but not quantified in, several different foods, such as buffalo currants (Ribes aureum var. villosum), new zealand spinaches (Tetragonia tetragonioides), cowpeas (Vigna unguiculata), burdocks (Arctium lappa), and moth beans (Vigna aconitifolia). This could make D-erythro-imidazole-glycerol-phosphate a potential biomarker for the consumption of these foods. D-Erythro-imidazole-glycerol-phosphate is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review very few articles have been published on D-Erythro-imidazole-glycerol-phosphate.

Structure

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


  Mrv1652309042000352D          

 15 15  0  0  0  0            999 V2000
 9999.234310000.2012    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9999.9491 9999.7893    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9999.234310001.0259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10000.663110000.2012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.9491 9998.9640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.3785 9999.7893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.093910000.2012    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
10001.681510000.9166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.8072 9999.7893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.506210000.9166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9997.847710000.2837    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9997.1803 9999.7987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.4352 9999.0141    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9998.2602 9999.0141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.5151 9999.7987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  6  0  0  0
  2  4  1  0  0  0  0
  2  5  1  1  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
 14 15  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 11 12  2  0  0  0  0
 11 15  1  0  0  0  0
  1 15  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0049951

> <DATABASE_NAME>
MIME

> <SMILES>
O[C@H](COP(O)(O)=O)[C@@H](O)C1=CNC=N1

> <INCHI_IDENTIFIER>
InChI=1S/C6H11N2O6P/c9-5(2-14-15(11,12)13)6(10)4-1-7-3-8-4/h1,3,5-6,9-10H,2H2,(H,7,8)(H2,11,12,13)/t5-,6+/m1/s1

> <INCHI_KEY>
HFYBTHCYPKEDQQ-RITPCOANSA-N

> <FORMULA>
C6H11N2O6P

> <MOLECULAR_WEIGHT>
238.1351

> <EXACT_MASS>
238.035472606

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
26

> <JCHEM_AVERAGE_POLARIZABILITY>
19.78655716370441

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(2R,3S)-2,3-dihydroxy-3-(1H-imidazol-4-yl)propoxy]phosphonic acid

> <ALOGPS_LOGP>
-1.59

> <JCHEM_LOGP>
-4.2779145684391855

> <ALOGPS_LOGS>
-1.03

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.5993663135356275

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.482402993615492

> <JCHEM_PKA_STRONGEST_BASIC>
5.78529472668903

> <JCHEM_POLAR_SURFACE_AREA>
135.9

> <JCHEM_REFRACTIVITY>
48.1795

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.22e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R,3S)-2,3-dihydroxy-3-(1H-imidazol-4-yl)propoxyphosphonic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-20         0                                  
HETATM    1  C   UNK     0    8665.2378667.042   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0    8666.5728666.273   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0    8665.2378668.582   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0    8667.9048667.042   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0    8666.5728664.733   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0    8669.2408666.273   0.000  0.00  0.00           O+0
HETATM    7  P   UNK     0    8670.5758667.042   0.000  0.00  0.00           P+0
HETATM    8  O   UNK     0    8669.8058668.378   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0    8671.9078666.273   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0    8671.3458668.378   0.000  0.00  0.00           O+0
HETATM   11  N   UNK     0    8662.6498667.196   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0    8661.4038666.291   0.000  0.00  0.00           C+0
HETATM   13  N   UNK     0    8661.8798664.826   0.000  0.00  0.00           N+0
HETATM   14  C   UNK     0    8663.4198664.826   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    8663.8958666.291   0.000  0.00  0.00           C+0
CONECT    1    2    3   15                                                  
CONECT    2    1    4    5                                                  
CONECT    3    1                                                            
CONECT    4    2    6                                                       
CONECT    5    2                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8    9   10                                             
CONECT    8    7                                                            
CONECT    9    7                                                            
CONECT   10    7                                                            
CONECT   11   12   15                                                       
CONECT   12   13   11                                                       
CONECT   13   12   14                                                       
CONECT   14   15   13                                                       
CONECT   15   14   11    1                                                  
MASTER        0    0    0    0    0    0    0    0   15    0   30    0
END

COMPND    HMDB0012208
HETATM    1  O1  UNL     1       3.606  -1.112  -1.297  1.00  0.00           O  
HETATM    2  P1  UNL     1       3.609  -0.062  -0.184  1.00  0.00           P  
HETATM    3  O2  UNL     1       4.415   1.310  -0.734  1.00  0.00           O  
HETATM    4  O3  UNL     1       4.410  -0.741   1.136  1.00  0.00           O  
HETATM    5  O4  UNL     1       2.003   0.253   0.200  1.00  0.00           O  
HETATM    6  C1  UNL     1       1.391  -0.989   0.460  1.00  0.00           C  
HETATM    7  C2  UNL     1      -0.056  -0.670   0.803  1.00  0.00           C  
HETATM    8  O5  UNL     1      -0.099   0.153   1.913  1.00  0.00           O  
HETATM    9  C3  UNL     1      -0.645   0.015  -0.426  1.00  0.00           C  
HETATM   10  O6  UNL     1      -0.566  -0.873  -1.494  1.00  0.00           O  
HETATM   11  C4  UNL     1      -2.033   0.447  -0.220  1.00  0.00           C  
HETATM   12  C5  UNL     1      -3.157  -0.358  -0.215  1.00  0.00           C  
HETATM   13  N1  UNL     1      -4.230   0.440   0.009  1.00  0.00           N  
HETATM   14  C6  UNL     1      -3.796   1.713   0.141  1.00  0.00           C  
HETATM   15  N2  UNL     1      -2.467   1.703   0.001  1.00  0.00           N  
HETATM   16  H1  UNL     1       3.865   2.127  -0.712  1.00  0.00           H  
HETATM   17  H2  UNL     1       4.001  -0.417   1.978  1.00  0.00           H  
HETATM   18  H3  UNL     1       1.903  -1.515   1.295  1.00  0.00           H  
HETATM   19  H4  UNL     1       1.383  -1.564  -0.482  1.00  0.00           H  
HETATM   20  H5  UNL     1      -0.638  -1.595   0.985  1.00  0.00           H  
HETATM   21  H6  UNL     1       0.724   0.111   2.471  1.00  0.00           H  
HETATM   22  H7  UNL     1      -0.012   0.907  -0.663  1.00  0.00           H  
HETATM   23  H8  UNL     1      -0.726  -0.454  -2.360  1.00  0.00           H  
HETATM   24  H9  UNL     1      -3.222  -1.441  -0.360  1.00  0.00           H  
HETATM   25  H10 UNL     1      -5.211   0.073   0.060  1.00  0.00           H  
HETATM   26  H11 UNL     1      -4.452   2.539   0.325  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4    5
CONECT    3   16
CONECT    4   17
CONECT    5    6
CONECT    6    7   18   19
CONECT    7    8    9   20
CONECT    8   21
CONECT    9   10   11   22
CONECT   10   23
CONECT   11   12   12   15
CONECT   12   13   24
CONECT   13   14   25
CONECT   14   15   15   26
END

Synonyms

Value	Source
D-Erythro-imidazole-glycerol 3-phosphate	ChEBI
D-Erythro-imidazole-glycerol phosphate	ChEBI
D-Erythro-imidazole-glycerol 3-phosphoric acid	Generator
D-Erythro-imidazole-glycerol phosphoric acid	Generator
D-Erythro-imidazole-glycerol-phosphoric acid	Generator
D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate	HMDB
D-erythro-Imidazoleglycerol-phosphate	HMDB
D-erythro-Imidazole-glycerol-P	HMDB
D-erythro-Imidazole-glycerol-phosphate	HMDB
D-erythro-Imidazolylglycerol phosphate	HMDB
IGP	HMDB
Imidazole glycerol phosphate	HMDB
erythro-Imidazole-glycerol-P	HMDB
erythro-Imidazole-glycerol-phosphate	HMDB

Molecular Formula

C₆H₁₁N₂O₆P

Average Mass

238.1351

Monoisotopic Mass

238.035472606

IUPAC Name

[(2R,3S)-2,3-dihydroxy-3-(1H-imidazol-4-yl)propoxy]phosphonic acid

Traditional Name

(2R,3S)-2,3-dihydroxy-3-(1H-imidazol-4-yl)propoxyphosphonic acid

CAS Registry Number

Not Available

SMILES

O[C@H](COP(O)(O)=O)[C@@H](O)C1=CNC=N1

InChI Identifier

InChI=1S/C6H11N2O6P/c9-5(2-14-15(11,12)13)6(10)4-1-7-3-8-4/h1,3,5-6,9-10H,2H2,(H,7,8)(H2,11,12,13)/t5-,6+/m1/s1

InChI Key

HFYBTHCYPKEDQQ-RITPCOANSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as monoalkyl phosphates. These are organic compounds containing a phosphate group that is linked to exactly one alkyl chain.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Organic phosphoric acids and derivatives

Sub Class

Phosphate esters

Direct Parent

Monoalkyl phosphates

Alternative Parents

Substituents

Monoalkyl phosphate
Azole
Imidazole
Heteroaromatic compound
Secondary alcohol
1,2-diol
Azacycle
Organoheterocyclic compound
Hydrocarbon derivative
Organic nitrogen compound
Aromatic alcohol
Organooxygen compound
Organonitrogen compound
Alcohol
Organic oxide
Organopnictogen compound
Organic oxygen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

imidazoles (CHEBI:17805 )
sn-glycerol 3-phosphates (CHEBI:17805 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	22.2 g/L	ALOGPS
logP	-1.6	ALOGPS
logP	-4.3	ChemAxon
logS	-1	ALOGPS
pKa (Strongest Acidic)	1.48	ChemAxon
pKa (Strongest Basic)	5.79	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	135.9 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	48.18 m³·mol⁻¹	ChemAxon
Polarizability	19.79 Å³	ChemAxon
Number of Rings	1	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 GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-0002-9100000000-d7621780646907150961	2016-09-22	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positive	splash10-014i-3902000000-672dc9789ba9dac4f90b	2017-10-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-000i-1590000000-995459a9c601e4f93bb9	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-01bm-7930000000-7a1fc0321a5a26cb3641	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-014i-9100000000-233300ba036335dbdb36	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-002s-9160000000-586419351fea64eb6eaa	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9000000000-4b73b23e7fb5e36e8b12	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-3234231a277bb5d275a3	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0076-0930000000-9d0199b4a40acd09d950	2021-09-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-00dl-6900000000-61cc16ade0d5022d7ba7	2021-09-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-014i-9000000000-5ce5f6fd52eba0bf6485	2021-09-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-002s-9070000000-6f235e806e9d50bbef56	2021-09-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9000000000-773be54506d41c124bd4	2021-09-24	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-7800232852d6f8ad7663	2021-09-24	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-16	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Feces

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

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference
MMDBr0007072	D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate	Water	Not Available	Imidazoleglycerol-phosphate dehydratase	VMH	30371894
MMDBr0012970	D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate	3-(Imidazol-4-yl)-2-oxopropyl phosphate	Imidazoleglycerol-phosphate dehydratase	Hydration/dehydration of C-O bond; Synthesis	RHEA	34755880
MMDBr0017916	5-[(5-phospho-1-deoxy-D-ribulos-1-ylimino)methylamino]-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide	AICAR	Imidazole glycerol phosphate synthase subunit HisH	Synthesis	RHEA	34755880

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	355	Human feces; Human pleural fluid plaque; Pig ; Human ; Human stool; Human subgingival plaque; Catfish ; Cattle	Metabolic reconstruction
Bacteria	Proteobacteria	512	Human feces; Human sputum; Human ; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human stool; Human feces; pleural fluid plaque; bal; Cattle ; Turkey ; Sheep ; Chicken ; River trout ; Human subgingival plaque	Metabolic reconstruction
Bacteria	Actinobacteria	160	Human feces; Human pleural fluid plaque; Human dental plaque; Human sputum; Human ; Human supragingival plaque; Human mucosa; Human subgingival plaque; Cattle	Metabolic reconstruction
Bacteria	Verrucomicrobia	2	Human ; Human feces	Metabolic reconstruction
Bacteria	Bacteroidetes	102	Human feces; Human appendix biopsy; Human ; Human stool; Human urine; Human gastric fluid; Human saliva; Human supragingival plaque; Human subgingival plaque	Metabolic reconstruction
Bacteria	Synergistetes	4	Human feces	Metabolic reconstruction
Archaea	Thaumarchaeota	1		Metabolic reconstruction
Archaea	Euryarchaeota	5		Metabolic reconstruction
Bacteria	Fusobacteria	1	Human ; Human feces	Metabolic reconstruction
Eukaryota/Fungi	Ascomycota	20	Human feces; Human saliva; Human supragingival plaque	Metabolic reconstruction
Bacteria	Planctomycetes	2	Human feces	Metabolic reconstruction
Archaea	Crenarchaeota	1		Metabolic reconstruction
Bacteria/NULL	Proteobacteria	4	Human feces; Human sputum; Human ; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human stool; Human feces; pleural fluid plaque; bal; Cattle ; Turkey ; Sheep ; Chicken ; River trout ; Human subgingival plaque	Metabolic reconstruction
Bacteria	Aquificae	4
Archaea/Archaea	Euryarchaeota	30		Metabolic reconstruction
Archaea/Archaea	Crenarchaeota	14		Metabolic reconstruction
Archaea/Archaea	Thaumarchaeota	2		Metabolic reconstruction
Bacteria	Chloroflexi	10
Bacteria	Chlorobi	11
Eukaryota/Fungi	Basidiomycota	3	Human feces
Bacteria	Deinococcus-thermus	5
Bacteria	Dictyoglomi	2
Bacteria	Elusimicrobia	2
Bacteria	Cyanobacteria	32	Human
Bacteria	Acidobacteria	3
Bacteria	Spirochaetes	7	Human
Bacteria	nah	1
Bacteria	Thermotogae	5
Bacteria	Nitrospirae	1
Bacteria/NULL	Spirochaetes	1	Human
Bacteria/NULL	Firmicutes	1	Human feces; Human pleural fluid plaque; Pig ; Human ; Human stool; Human subgingival plaque; Catfish ; Cattle	Metabolic reconstruction

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified									HMDB

External Links

HMDB ID

HMDB0012208

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

D-ERYTHRO-IMIDAZOLE-GLYCEROL-P

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

440431

PDB ID

Not Available

ChEBI ID

17805

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Noronha A, Modamio J, Jarosz Y, Guerard E, Sompairac N, Preciat G, Danielsdottir AD, Krecke M, Merten D, Haraldsdottir HS, Heinken A, Heirendt L, Magnusdottir S, Ravcheev DA, Sahoo S, Gawron P, Friscioni L, Garcia B, Prendergast M, Puente A, Rodrigues M, Roy A, Rouquaya M, Wiltgen L, Zagare A, John E, Krueger M, Kuperstein I, Zinovyev A, Schneider R, Fleming RMT, Thiele I: The Virtual Metabolic Human database: integrating human and gut microbiome metabolism with nutrition and disease. Nucleic Acids Res. 2019 Jan 8;47(D1):D614-D624. doi: 10.1093/nar/gky992. [PubMed:30371894 ]
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 D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate (MMDBc0049951)

MOL for #<Metabolite:0x00007fe2d52d6f58>

3D MOL for #<Metabolite:0x00007fe2d52d6f58>

3D SDF for #<Metabolite:0x00007fe2d52d6f58>

3D-SDF for #<Metabolite:0x00007fe2d52d6f58>

PDB for #<Metabolite:0x00007fe2d52d6f58>

3D PDB for #<Metabolite:0x00007fe2d52d6f58>

SMILES for #<Metabolite:0x00007fe2d52d6f58>

INCHI for #<Metabolite:0x00007fe2d52d6f58>

Structure for #<Metabolite:0x00007fe2d52d6f58>

3D Structure for #<Metabolite:0x00007fe2d52d6f58>