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CHEBI:172116 - 10-Oxooctadecanoic acid

ChEBI IDCHEBI:172116
ChEBI Name10-Oxooctadecanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H34O3
Net Charge0
Average Mass298.467
Monoisotopic Mass298.25079
SMILESCCCCCCCCC(=O)CCCCCCCCC(=O)O
InChIInChI=1S/C18H34O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h2-16H2,1H3,(H,20,21)
InChIKeyBGKROBBCCGUUCF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
10-Oxooctadecanoic acid (CHEBI:172116) is a long-chain fatty acid (CHEBI:15904)
10-Oxooctadecanoic acid (CHEBI:172116) is conjugate acid of 10-KOMA(1−) (CHEBI:194437)
Incoming Relation(s)
10-KOMA(1−) (CHEBI:194437) is conjugate base of 10-Oxooctadecanoic acid (CHEBI:172116)
IUPAC Name 
10-oxooctadecanoic acid
Manual XrefsDatabases
HMDB0030980HMDB
321290ChemSpider
KTCPDBeChem
LMFA01060066LIPID MAPS
Registry NumbersSources
CAS:4158-12-7ChemIDplus