EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:193276 - 17-phenyl-13E-heptadecenoic acid

ChEBI IDCHEBI:193276
ChEBI Name17-phenyl-13E-heptadecenoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H36O2
Net Charge0
Average Mass344.539
Monoisotopic Mass344.27153
SMILESO=C(O)CCCCCCCCCCC/C=C/CCCc1ccccc1
InChIInChI=1S/C23H36O2/c24-23(25)21-17-12-10-8-6-4-2-1-3-5-7-9-11-14-18-22-19-15-13-16-20-22/h7,9,13,15-16,19-20H,1-6,8,10-12,14,17-18,21H2,(H,24,25)/b9-7+
InChIKeyJHYURXORMRRZBX-VQHVLOKHSA-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)
17-phenyl-13E-heptadecenoic acid (CHEBI:193276) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(E)-17-phenylheptadec-13-enoic acid
Manual XrefsDatabases
113368382ChemSpider
LMFA01140076LIPID MAPS