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CHEBI:36022 - octadec-6-enoic acid

ChEBI IDCHEBI:36022
ChEBI Nameoctadec-6-enoic acid
Stars
DefinitionAn octadecenoic acid having a cis- or trans- double bond at position 6.
Last Modified10 November 2015
DownloadsMolfile
FormulaC18H34O2
Net Charge0
Average Mass282.468
Monoisotopic Mass282.25588
SMILES[H]C(CCCCCCCCCCC)=C([H])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)
InChIKeyCNVZJPUDSLNTQU-UHFFFAOYSA-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)
octadec-6-enoic acid (CHEBI:36022) is a octadecenoic acid (CHEBI:25634)
Incoming Relation(s)
petroselaidic acid (CHEBI:30829) is a octadec-6-enoic acid (CHEBI:36022)
petroselinic acid (CHEBI:28194) is a octadec-6-enoic acid (CHEBI:36022)
octadec-6-enoyl group (CHEBI:50497) is substituent group from octadec-6-enoic acid (CHEBI:36022)
IUPAC Name 
octadec-6-enoic acid
Synonyms  Source
Octadec-6-ensäureChEBI
6-OctadecensäureChEBI
18:1n-6ChEBI
C18:1n-6ChEBI
Registry NumbersSources
Reaxys:1786506Reaxys
CAS:4712-34-9ChemIDplus