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CHEBI:17413 - 2-(hydroxymethyl)-4-oxobutanoic acid

ChEBI IDCHEBI:17413
ChEBI Name2-(hydroxymethyl)-4-oxobutanoic acid
Stars
DefinitionA 4-oxo monocarboxylic acid that is 4-oxobutanoic acid which is substituted by a hydroxymethyl group at position 2.
Secondary ChEBI IDsCHEBI:973, CHEBI:11476, CHEBI:19419
Last Modified10 January 2019
DownloadsMolfile
FormulaC5H8O4
Net Charge0
Average Mass132.115
Monoisotopic Mass132.04226
SMILESO=CCC(CO)C(=O)O
InChIInChI=1S/C5H8O4/c6-2-1-4(3-7)5(8)9/h2,4,7H,1,3H2,(H,8,9)
InChIKeyQZXWGGGNYORFOK-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-(hydroxymethyl)-4-oxobutanoic acid (CHEBI:17413) has functional parent butyric acid (CHEBI:30772)
2-(hydroxymethyl)-4-oxobutanoic acid (CHEBI:17413) is a 3-hydroxy monocarboxylic acid (CHEBI:35969)
2-(hydroxymethyl)-4-oxobutanoic acid (CHEBI:17413) is a 4-oxo monocarboxylic acid (CHEBI:35950)
2-(hydroxymethyl)-4-oxobutanoic acid (CHEBI:17413) is a α-CH2-containing aldehyde (CHEBI:73359)
2-(hydroxymethyl)-4-oxobutanoic acid (CHEBI:17413) is conjugate acid of 2-(hydroxymethyl)-4-oxobutanoate (CHEBI:58135)
Incoming Relation(s)
2-(hydroxymethyl)-4-oxobutanoate (CHEBI:58135) is conjugate base of 2-(hydroxymethyl)-4-oxobutanoic acid (CHEBI:17413)
IUPAC Name 
2-(hydroxymethyl)-4-oxobutanoic acid
Synonyms  Source
2-(Hydroxymethyl)-4-oxobutanoateKEGG COMPOUND
2-Hydroxymethyl succinate semialdehydeKEGG COMPOUND
alpha-Hydroxymethyl succinate semialdehydeKEGG COMPOUND
Manual XrefsDatabases
C04106KEGG COMPOUND