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

2025-01-15 23:07:50 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 is a very strong basic compound (based on its pKa). Outside of the human body, D-erythro-imidazole-glycerol-phosphate has been detected, but not quantified in, several different foods, such as mammee apples, scarlet beans, grass pea, olives, and bog bilberries. This could make D-erythro-imidazole-glycerol-phosphate a potential biomarker for the consumption of these foods. D-Erythro-imidazole-glycerol-phosphate is an intermediate in histidine metabolism. It is a substrate for imidazoleglycerol-phosphate dehydratase (hisB) and can be generated from phosphoribulosylformimino-AICAR-P.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Molecular Formula

C₆H₁₁N₂O₆P

Average Mass

238.1351

Monoisotopic Mass

238.0354726

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

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

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Not Available

Spectra

Not Available

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

Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference
MMDBr0007072	D-erythro-1-(Imidazol-4-yl)glycerol 3-phosphate	3-(Imidazol-4-yl)-2-oxopropyl phosphate	Not Available		VMH	30371894

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	356	Human feces; Human pleural fluid plaque; Pig ; Human ; Human stool; Human subgingival plaque; Catfish ; Cattle	Metabolic reconstruction
Bacteria	Proteobacteria	516	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	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	8	Human
Bacteria	nah	1
Bacteria	Thermotogae	5
Bacteria	Nitrospirae	1

Exposure Sources

Source Type	Activity	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

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:0x00007f539cf89bb0>

3D MOL for #<Metabolite:0x00007f539cf89bb0>

3D SDF for #<Metabolite:0x00007f539cf89bb0>

3D-SDF for #<Metabolite:0x00007f539cf89bb0>

PDB for #<Metabolite:0x00007f539cf89bb0>

3D PDB for #<Metabolite:0x00007f539cf89bb0>

SMILES for #<Metabolite:0x00007f539cf89bb0>

INCHI for #<Metabolite:0x00007f539cf89bb0>

Structure for #<Metabolite:0x00007f539cf89bb0>

3D Structure for #<Metabolite:0x00007f539cf89bb0>