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

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ChEBI Name 2-(hydroxymethyl)-4-oxobutanoic acid ChEBI ID CHEBI:17413 Definition A 4-oxo monocarboxylic acid that is 4-oxobutanoic acid which is substituted by a hydroxymethyl group at position 2. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:973, CHEBI:11476, CHEBI:19419 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C5H8O4 Net Charge 0 Average Mass 132.11462 Monoisotopic Mass 132.04226 InChI InChI=1S/C5H8O4/c6-2-1-4(3-7)5(8)9/h2,4,7H,1,3H2,(H,8,9) InChIKey QZXWGGGNYORFOK-UHFFFAOYSA-N SMILES OCC(CC=O)C(O)=O Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing 2-(hydroxymethyl)-4-oxobutanoic acid (CHEBI:17413) has functional parent butyric acid (CHEBI:30772) 2-(hydroxymethyl)-4-oxobutanoic acid (CHEBI:17413) is a α-CH2-containing aldehyde (CHEBI:73359) 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 conjugate acid of 2-(hydroxymethyl)-4-oxobutanoate (CHEBI:58135) Incoming 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 Sources 2-(Hydroxymethyl)-4-oxobutanoate KEGG COMPOUND 2-Hydroxymethyl succinate semialdehyde KEGG COMPOUND alpha-Hydroxymethyl succinate semialdehyde KEGG COMPOUND Manual Xref Database C04106 KEGG COMPOUND View more database links Last Modified 10 January 2019