(3S,7R)-iso-jasmonic acid (CHEBI:184618)

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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	(3S,7R)-iso-jasmonic acid

ChEBI ID	CHEBI:184618

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H18O3

Net Charge

Average Mass

210.273

Monoisotopic Mass

210.12559

InChI

InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10+/m0/s1

InChIKey

ZNJFBWYDHIGLCU-RWCMCFKCSA-N

SMILES

O=C1[C@@H]([C@@H](CC1)CC(O)=O)C/C=C\CC

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	(3S,7R)-iso-jasmonic acid (CHEBI:184618) has functional parent jasmonic acid (CHEBI:18292) (3S,7R)-iso-jasmonic acid (CHEBI:184618) is a Jasmonate derivatives (CHEBI:167055) (3S,7R)-iso-jasmonic acid (CHEBI:184618) is a oxo monocarboxylic acid (CHEBI:35871)

IUPAC Name

2-[(1S,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid

Last Modified

24 February 2022