Chrysobalanic acid (CHEBI:187125)

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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	Chrysobalanic acid

ChEBI ID	CHEBI:187125

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

Submitter	MetaboLights

Supplier Information	No supplier information found for this compound.

Download	Molfile XML SDF

Formula

C18H26O3

Net Charge

Average Mass

290.403

Monoisotopic Mass

290.18819

InChI

InChI=1S/C18H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19)15-16-18(20)21/h3-10H,2,11-16H2,1H3,(H,20,21)/b4-3-,6-5+,8-7+,10-9-

InChIKey

ZYOSGENSARGRME-ZSCYQOFPSA-N

SMILES

O=C(CCCC/C=C\C=C\C=C\C=C/CC)CCC(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	Chrysobalanic acid (CHEBI:187125) is a octadecatetraenoic acid (CHEBI:37810)

IUPAC Name

(9Z,11E,13E,15Z)-4-oxooctadeca-9,11,13,15-tetraenoic acid

Last Modified

24 February 2022