CHEBI:165495 - Ximenynic acid

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ChEBI Name Ximenynic acid
ChEBI ID CHEBI:165495
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C18H30O2
Net Charge 0
Average Mass 278.436
Monoisotopic Mass 278.22458
InChI InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,11-17H2,1H3,(H,19,20)/b8-7+
InChIKey VENIIVIRETXKSV-BQYQJAHWSA-N
SMILES OC(=O)CCCCCCCC#C\C=C\CCCCCC
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Ximenynic acid (CHEBI:165495) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name
(E)-octadec-11-en-9-ynoic acid
Manual Xrefs Databases
4472113 ChemSpider
LMFA01030560 LIPID MAPS
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Registry Number Type Source
557-58-4 CAS Registry Number ChemIDplus