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CHEBI:30820 - 2-oxooctadecanoic acid

ChEBI IDCHEBI:30820
ChEBI Name2-oxooctadecanoic acid
Stars
DefinitionA 2-oxo monocarboxylic acid that is octadecanoic acid (stearic acid) in which the hydrogens at position 2 have been replaced by an oxo group.
Secondary ChEBI IDsCHEBI:1260, CHEBI:19756
Last Modified8 March 2017
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC18H34O3
Net Charge0
Average Mass298.467
Monoisotopic Mass298.25079
SMILESCCCCCCCCCCCCCCCCC(=O)C(=O)O
InChIInChI=1S/C18H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h2-16H2,1H3,(H,20,21)
InChIKeyJUCAMRNDACLKGY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Ailuropoda melanoleuca (ncbitaxon:9646) milk (BTO:0000868) PubMed (26630345)
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-oxooctadecanoic acid (CHEBI:30820) has functional parent octadecanoic acid (CHEBI:28842)
2-oxooctadecanoic acid (CHEBI:30820) is a 2-oxo monocarboxylic acid (CHEBI:35910)
2-oxooctadecanoic acid (CHEBI:30820) is conjugate acid of 2-oxooctadecanoate (CHEBI:17162)
Incoming Relation(s)
2-oxooctadecanoate (CHEBI:17162) is conjugate base of 2-oxooctadecanoic acid (CHEBI:30820)
IUPAC Name 
2-oxooctadecanoic acid
Synonyms  Source
2-Oxooctadecanoic acidKEGG COMPOUND
2-oxo-octadecanoic acidChEBI
2-oxostearic acidChEBI
Manual XrefsDatabases
C00869KEGG COMPOUND
LMFA01060119LIPID MAPS
Registry NumbersSources
Reaxys:1789750Reaxys
Citations