MiMeDB: Showing metabocard for 2,3-Dihydroxyisovaleric acid (MMDBc0031691)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-18 01:44:34 UTC

Update Date

2022-08-31 18:23:30 UTC

MiMeDB ID

MMDBc0031691

Metabolite Identification

Common Name

2,3-Dihydroxyisovaleric acid

Description

2,3-dihydroxyisovaleric acid (or 2,3-Dihydroxy-3-methylbutanoate) is invovled in branched chain amino acid biosynthesis. It is a substrate for Ketol-acid reductoisomerase (ilvC). This enzyme catalyzes the reaction: (R)-2,3-dihydroxy-3-methylbutanoate + NADP+ = (S)-2-hydroxy-2-methyl-3-oxobutanoate + NADPH.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₅H₁₀O₄

Average Molecular Weight

134.1305

Monoisotopic Molecular Weight

134.057908808

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

1756-18-9

SMILES

Not Available

InChI Identifier

InChI=1S/C5H10O4/c1-5(2,9)3(6)4(7)8/h3,6,9H,1-2H3,(H,7,8)

InChI Key

JTEYKUFKXGDTEU-UHFFFAOYSA-N

Chemical Taxonomy

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Not Available

Spectra

Not Available

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

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

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Simon-Manso Y, Marupaka R, Yan X, Liang Y, Telu KH, Mirokhin Y, Stein SE: Mass Spectrometry Fingerprints of Small-Molecule Metabolites in Biofluids: Building a Spectral Library of Recurrent Spectra for Urine Analysis. Anal Chem. 2019 Sep 17;91(18):12021-12029. doi: 10.1021/acs.analchem.9b02977. Epub 2019 Aug 30. [PubMed:31424920 ]

Showing metabocard for 2,3-Dihydroxyisovaleric acid (MMDBc0031691)

MOL for #<Metabolite:0x00007f09200b9020>

3D MOL for #<Metabolite:0x00007f09200b9020>

3D SDF for #<Metabolite:0x00007f09200b9020>

3D-SDF for #<Metabolite:0x00007f09200b9020>

PDB for #<Metabolite:0x00007f09200b9020>

3D PDB for #<Metabolite:0x00007f09200b9020>

SMILES for #<Metabolite:0x00007f09200b9020>

INCHI for #<Metabolite:0x00007f09200b9020>

Structure for #<Metabolite:0x00007f09200b9020>

3D Structure for #<Metabolite:0x00007f09200b9020>