EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:138367 - 3-hydroxymethylglutaric acid

ChEBI IDCHEBI:138367
ChEBI Name3-hydroxymethylglutaric acid
Stars
Last Modified1 September 2017
Submittermwilliams
DownloadsMolfile
FormulaC6H10O5
Net Charge0
Average Mass162.141
Monoisotopic Mass162.05282
SMILESO=C(O)CC(CO)CC(=O)O
InChIInChI=1S/C6H10O5/c7-3-4(1-5(8)9)2-6(10)11/h4,7H,1-3H2,(H,8,9)(H,10,11)
InChIKeyIEPDKRIDROAXQP-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)
3-hydroxymethylglutaric acid (CHEBI:138367) is a hydroxy fatty acid (CHEBI:24654)
Manual XrefsDatabases
8505044ChemSpider