2-HoTrE (CHEBI:165778)

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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	2-HoTrE

ChEBI ID	CHEBI:165778

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H30O3

Net Charge

Average Mass

294.435

Monoisotopic Mass

294.21949

InChI

InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h3-4,6-7,9-10,17,19H,2,5,8,11-16H2,1H3,(H,20,21)/b4-3-,7-6-,10-9-

InChIKey

JQXGCBKGIBTCHY-PDBXOOCHSA-N

SMILES

OC(CCCCCC/C=C\C/C=C\C/C=C\CC)C(O)=O

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	2-HoTrE (CHEBI:165778) is a 2-hydroxy fatty acid (CHEBI:10283) 2-HoTrE (CHEBI:165778) is a octadecatrienoic acid (CHEBI:25633)

IUPAC Name

(9Z,12Z,15Z)-2-hydroxyoctadeca-9,12,15-trienoic acid

Last Modified

24 February 2022