MiMeDB: Showing metabocard for Phenylglyoxal (MMDBc0030207)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-17 23:58:24 UTC

Update Date

2022-08-31 17:40:41 UTC

MiMeDB ID

MMDBc0030207

Metabolite Identification

Common Name

Phenylglyoxal

Description

Phenylglyoxal is a member of the chemical class known as Phenylacetaldehydes. These are compounds containing a phenylacetaldehyde moiety, which consists of a phenyl group substituted at the second position by an acetalydehyde. It contains both an aldehyde and a ketone functional group. It is yellow liquid when anhydrous but readily forms a colorless crystalline hydrate. It has been used as a reagent to modify the amino acid, arginine. It is a substrate for the enzyme HcHA or Glyoxylse III. This enzyme catalyzes the conversion of methylglyoxal (MG) to D-lactate in a single glutathione (GSH)-independent step. It can also use phenylglyoxal as substrate and generate phenylactate.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₈H₆O₂

Average Molecular Weight

134.132

Monoisotopic Molecular Weight

134.036779436

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

1074-12-0

SMILES

Not Available

InChI Identifier

InChI=1S/C8H6O2/c9-6-8(10)7-4-2-1-3-5-7/h1-6H

InChI Key

OJUGVDODNPJEEC-UHFFFAOYSA-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

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
	Proteobacteria	1	Human	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
Human Feces	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	19167006	details
Human Feces	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	24260553	details

External Links

Not Available

References

Synthesis Reference

Not Available

General References

van der Werf MJ, Overkamp KM, Muilwijk B, Coulier L, Hankemeier T: Microbial metabolomics: toward a platform with full metabolome coverage. Anal Biochem. 2007 Nov 1;370(1):17-25. doi: 10.1016/j.ab.2007.07.022. Epub 2007 Aug 1. [PubMed:17765195 ]
Keseler IM, Collado-Vides J, Santos-Zavaleta A, Peralta-Gil M, Gama-Castro S, Muniz-Rascado L, Bonavides-Martinez C, Paley S, Krummenacker M, Altman T, Kaipa P, Spaulding A, Pacheco J, Latendresse M, Fulcher C, Sarker M, Shearer AG, Mackie A, Paulsen I, Gunsalus RP, Karp PD: EcoCyc: a comprehensive database of Escherichia coli biology. Nucleic Acids Res. 2011 Jan;39(Database issue):D583-90. doi: 10.1093/nar/gkq1143. Epub 2010 Nov 21. [PubMed:21097882 ]

Showing metabocard for Phenylglyoxal (MMDBc0030207)

MOL for #<Metabolite:0x000055b76dc50268>

3D MOL for #<Metabolite:0x000055b76dc50268>

3D SDF for #<Metabolite:0x000055b76dc50268>

3D-SDF for #<Metabolite:0x000055b76dc50268>

PDB for #<Metabolite:0x000055b76dc50268>

3D PDB for #<Metabolite:0x000055b76dc50268>

SMILES for #<Metabolite:0x000055b76dc50268>

INCHI for #<Metabolite:0x000055b76dc50268>

Structure for #<Metabolite:0x000055b76dc50268>

3D Structure for #<Metabolite:0x000055b76dc50268>