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CHEBI:49077 - 2-hydroxymethylglutaric acid

ChEBI IDCHEBI:49077
ChEBI Name2-hydroxymethylglutaric acid
Stars
DefinitionThe 2-hydroxymethyl derivative of glutaric acid.
Last Modified24 February 2022
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC6H10O5
Net Charge0
Average Mass162.141
Monoisotopic Mass162.05282
SMILESO=C(O)CCC(CO)C(=O)O
InChIInChI=1S/C6H10O5/c7-3-4(6(10)11)1-2-5(8)9/h4,7H,1-3H2,(H,8,9)(H,10,11)
InChIKeyXPQIPNORJZZYPV-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-hydroxymethylglutaric acid (CHEBI:49077) has functional parent glutaric acid (CHEBI:17859)
2-hydroxymethylglutaric acid (CHEBI:49077) is a dicarboxylic acid (CHEBI:35692)
2-hydroxymethylglutaric acid (CHEBI:49077) is a dicarboxylic fatty acid (CHEBI:189840)
2-hydroxymethylglutaric acid (CHEBI:49077) is conjugate acid of 2-hydroxymethylglutarate (CHEBI:58777)
Incoming Relation(s)
(R)-2-hydroxymethylglutaric acid (CHEBI:49078) is a 2-hydroxymethylglutaric acid (CHEBI:49077)
(S)-2-hydroxymethylglutaric acid (CHEBI:49076) is a 2-hydroxymethylglutaric acid (CHEBI:49077)
2-hydroxymethylglutarate (CHEBI:58777) is conjugate base of 2-hydroxymethylglutaric acid (CHEBI:49077)
IUPAC Name 
2-(hydroxymethyl)pentanedioic acid
Manual XrefsDatabases
C16390KEGG COMPOUND