EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:193262 - Agonandric acid

ChEBI IDCHEBI:193262
ChEBI NameAgonandric acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H30O3
Net Charge0
Average Mass294.435
Monoisotopic Mass294.21949
SMILESCCCCCC/C=C/C#CC(O)CCCCCCC(=O)O
InChIInChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-11-14-17(19)15-12-9-10-13-16-18(20)21/h7-8,17,19H,2-6,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-7+
InChIKeyOTAWOAZBNLPFQR-BQYQJAHWSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Agonandric acid (CHEBI:193262) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(E)-8-hydroxyoctadec-11-en-9-ynoic acid
Manual XrefsDatabases
11476136ChemSpider
LMFA01050307LIPID MAPS