EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:205957 - (E)-13-(O-tolyl)tridec-12-enoic acid

ChEBI IDCHEBI:205957
ChEBI Name(E)-13-(O-tolyl)tridec-12-enoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O2
Net Charge0
Average Mass302.458
Monoisotopic Mass302.22458
SMILESCc1ccccc1/C=C/CCCCCCCCCCC(=O)O
InChIInChI=1S/C20H30O2/c1-18-14-12-13-16-19(18)15-10-8-6-4-2-3-5-7-9-11-17-20(21)22/h10,12-16H,2-9,11,17H2,1H3,(H,21,22)/b15-10+
InChIKeyLRVODNVNRNARGX-XNTDXEJSSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (31847583)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(E)-13-(O-tolyl)tridec-12-enoic acid (CHEBI:205957) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(E)-13-(2-methylphenyl)tridec-12-enoic acid