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CHEBI:30829 - petroselaidic acid

ChEBI IDCHEBI:30829
ChEBI Namepetroselaidic acid
Stars
DefinitionThe trans-isomer of octadec-6-enoic acid, a long-chain fatty acid.
Last Modified10 November 2015
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC18H34O2
Net Charge0
Average Mass282.468
Monoisotopic Mass282.25588
SMILESCCCCCCCCCCC/C=C/CCCCC(=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/h12-13H,2-11,14-17H2,1H3,(H,19,20)/b13-12+
InChIKeyCNVZJPUDSLNTQU-OUKQBFOZSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
petroselaidic acid (CHEBI:30829) is a octadec-6-enoic acid (CHEBI:36022)
petroselaidic acid (CHEBI:30829) is conjugate acid of petroselaidate (CHEBI:32377)
Incoming Relation(s)
petroselaidate (CHEBI:32377) is conjugate base of petroselaidic acid (CHEBI:30829)
petroselaidoyl group (CHEBI:32378) is substituent group from petroselaidic acid (CHEBI:30829)
IUPAC Name 
(6E)-octadec-6-enoic acid
Synonyms  Source
trans-Δ6-octadecenoic acidChEBI
trans-octadec-6-enoic acidChEBI
octadec-6t-enoic acidChEBI
trans-6-octadecenoic acidLIPID MAPS
6E-octadecenoic acidLIPID MAPS
Octadec-6t-ensäureChEBI
Manual XrefsDatabases
LMFA01030067LIPID MAPS
Registry NumbersSources
Reaxys:1726528Reaxys