CHEBI:30829 - petroselaidic acid

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ChEBI Name petroselaidic acid
ChEBI ID CHEBI:30829
Definition The trans-isomer of octadec-6-enoic acid, a long-chain fatty acid.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C18H34O2
Net Charge 0
Average Mass 282.462
Monoisotopic Mass 282.25588
InChI InChI=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+
InChIKey CNVZJPUDSLNTQU-OUKQBFOZSA-N
SMILES C(=O)(CCCC/C=C/CCCCCCCCCCC)O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing petroselaidic acid (CHEBI:30829) is a octadec-6-enoic acid (CHEBI:36022)
petroselaidic acid (CHEBI:30829) is conjugate acid of petroselaidate (CHEBI:32377)
Incoming 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 Sources
6E-octadecenoic acid LIPID MAPS
octadec-6t-enoic acid ChEBI
Octadec-6t-ensäure ChEBI
trans-6-octadecenoic acid LIPID MAPS
trans6-octadecenoic acid ChEBI
trans-octadec-6-enoic acid ChEBI
Manual Xref Database
LMFA01030067 LIPID MAPS
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Registry Numbers Types Sources
1726528 Beilstein Registry Number Beilstein
1726528 Reaxys Registry Number Reaxys
Last Modified
10 November 2015