EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:52421 - 3-oxohexacosanoic acid

ChEBI IDCHEBI:52421
ChEBI Name3-oxohexacosanoic acid
Stars
DefinitionA very long-chain fatty acid that is hexacosanoic acid carrying a β-oxo substituent.
Last Modified6 February 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC26H50O3
Net Charge0
Average Mass410.683
Monoisotopic Mass410.37600
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(=O)CC(=O)O
InChIInChI=1S/C26H50O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25(27)24-26(28)29/h2-24H2,1H3,(H,28,29)
InChIKeyPJQXMTFEXFYZCU-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-oxohexacosanoic acid (CHEBI:52421) has functional parent hexacosanoic acid (CHEBI:31009)
3-oxohexacosanoic acid (CHEBI:52421) is a 3-oxo fatty acid (CHEBI:134416)
3-oxohexacosanoic acid (CHEBI:52421) is a very long-chain fatty acid (CHEBI:27283)
Incoming Relation(s)
3-oxohexacosanoyl-CoA (CHEBI:52977) has functional parent 3-oxohexacosanoic acid (CHEBI:52421)
IUPAC Name 
3-oxohexacosanoic acid
Synonyms  Source
3-oxocerotic acidChEBI
β-oxocerotic acidChEBI
β-oxohexacosanoic acidChEBI