Columbinic acid (CHEBI:196171)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Columbinic acid

ChEBI ID	CHEBI:196171

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H30O2

Net Charge

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/h6-7,9-10,13-14H,2-5,8,11-12,15-17H2,1H3,(H,19,20)/b7-6-,10-9-,14-13+

InChIKey

HXQHFNIKBKZGRP-OXXZWVFOSA-N

SMILES

OC(=O)CCC/C=C/CC/C=C\C/C=C\CCCCC

ChEBI Ontology
Outgoing	Columbinic acid (CHEBI:196171) is a lipid (CHEBI:18059)

IUPAC Name

(5E,9Z,12Z)-octadeca-5,9,12-trienoic acid