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CHEBI:28727 - trans-vaccenic acid

ChEBI IDCHEBI:28727
ChEBI Nametrans-vaccenic acid
Stars
ASCII Nametrans-vaccenic acid
DefinitionThe trans- isomer of vaccenic acid.
Secondary ChEBI IDsCHEBI:9918, CHEBI:27260
Last Modified18 January 2018
DownloadsMolfile

FormulaC18H34O2
Net Charge0
Average Mass282.468
Monoisotopic Mass282.25588
SMILESCCCCCC/C=C/CCCCCCCCCC(=O)O
InChIInChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7+
InChIKeyUWHZIFQPPBDJPM-BQYQJAHWSA-N

Roles Classification

ChEBI Ontology
IUPAC Name 
(11E)-octadec-11-enoic acid
Synonyms  Source
Vaccenic acidKEGG COMPOUND
trans-11-Octadecenoic acidKEGG COMPOUND
(E)-11-octadecenoic acidChemIDplus
(11E)-Octadecenoic acidKEGG COMPOUND
trans-octadec-11-enoic acidChEBI
octadec-11(E)-enoic acidChEBI
Manual XrefsDatabases
C08367KEGG COMPOUND
C08367KEGG COMPOUND
LMFA01030077LIPID MAPS
C00001240KNApSAcK
Registry NumbersSources
Reaxys:1726566Reaxys
CAS:693-72-1KEGG COMPOUND
CAS:693-72-1ChemIDplus
CAS:693-72-1NIST Chemistry WebBook
Citations