11,12,13-TriHOME (CHEBI:165804)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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	11,12,13-TriHOME

ChEBI ID	CHEBI:165804

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H34O5

Net Charge

Average Mass

330.465

Monoisotopic Mass

330.24062

InChI

InChI=1S/C18H34O5/c1-2-3-9-12-15(19)18(23)16(20)13-10-7-5-4-6-8-11-14-17(21)22/h10,13,15-16,18-20,23H,2-9,11-12,14H2,1H3,(H,21,22)/b13-10+

InChIKey

WWLVUQOGFYZQHT-JLHYYAGUSA-N

SMILES

OC(CCCCC)C(O)C(O)/C=C/CCCCCCCC(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	11,12,13-TriHOME (CHEBI:165804) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name

(E)-11,12,13-trihydroxyoctadec-9-enoic acid