(2Z)-7-hydroxy-2-(phenylmethylidene)heptanoic acid (CHEBI:186743)

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	(2Z)-7-hydroxy-2-(phenylmethylidene)heptanoic acid

ChEBI ID	CHEBI:186743

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H18O3

Net Charge

Average Mass

234.295

Monoisotopic Mass

234.12559

InChI

InChI=1S/C14H18O3/c15-10-6-2-5-9-13(14(16)17)11-12-7-3-1-4-8-12/h1,3-4,7-8,11,15H,2,5-6,9-10H2,(H,16,17)/b13-11-

InChIKey

RXRICHSXXMJQJH-QBFSEMIESA-N

SMILES

OCCCCC/C(=C/C1=CC=CC=C1)/C(O)=O

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study

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	(2Z)-7-hydroxy-2-(phenylmethylidene)heptanoic acid (CHEBI:186743) is a cinnamic acids (CHEBI:23252)

IUPAC Name

(2Z)-2-benzylidene-7-hydroxyheptanoic acid