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CHEBI:136179 - (+)-7-isojasmonate

ChEBI IDCHEBI:136179
ChEBI Name(+)-7-isojasmonate
Stars
DefinitionA jasmonate anion resulting from the removal of a proton from the carboxy group of (+)-7-isojasmonic acid. The major species at pH 7.3.
Last Modified12 May 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC12H17O3
Net Charge-1
Average Mass209.265
Monoisotopic Mass209.11832
SMILESCC/C=C\C[C@@H]1C(=O)CC[C@@H]1CC(=O)[O-]
InChIInChI=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)/p-1/b4-3-/t9-,10+/m1/s1
InChIKeyZNJFBWYDHIGLCU-QKMQQOOLSA-M
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
jasmonates  The jasmonates (JAs) are a group of plant hormones which help regulate plant growth and development.
ChEBI Ontology
Outgoing Relation(s)
(+)-7-isojasmonate (CHEBI:136179) is a Jasmonate derivatives (CHEBI:167055)
(+)-7-isojasmonate (CHEBI:136179) is a jasmonic acid anion (CHEBI:136184)
(+)-7-isojasmonate (CHEBI:136179) is conjugate base of (+)-7-isojasmonic acid (CHEBI:18435)
Incoming Relation(s)
(+)-7-isojasmonic acid (CHEBI:18435) is conjugate acid of (+)-7-isojasmonate (CHEBI:136179)
IUPAC Name 
{(1R,2S)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetate
UniProt Name  Source
(+)-7-isojasmonateUniProt
Manual XrefsDatabases
CPD-731MetaCyc