CHEBI:180172 - 5,9,12-octadecatrienoic acid

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ChEBI Name 5,9,12-octadecatrienoic acid
ChEBI ID CHEBI:180172
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
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/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-JRVLCRGASA-N
SMILES OC(=O)CCC/C=C/CC/C=C/C\C=C\CCCCC
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 5,9,12-octadecatrienoic acid (CHEBI:180172) is a octadecatrienoic acid (CHEBI:25633)
IUPAC Name
(5E,9E,12E)-octadeca-5,9,12-trienoic acid
Manual Xrefs Databases
4471918 ChemSpider
LMFA01030342 LIPID MAPS
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Registry Number Type Source
13237-97-3 CAS Registry Number ChemIDplus
Last Modified
23 February 2022