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CHEBI:18435 - (+)-7-isojasmonic acid

ChEBI IDCHEBI:18435
ChEBI Name(+)-7-isojasmonic acid
Stars
DefinitionAn oxylipin that is [(1S)-3-oxocyclopentyl]acetic acid substituted by a (2Z)-pent-2-en-1-yl group at position 2 on the cyclopentanone ring.
Last Modified1 February 2022
DownloadsMolfile
FormulaC12H18O3
Net Charge0
Average Mass210.273
Monoisotopic Mass210.12559
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)/b4-3-/t9-,10+/m1/s1
InChIKeyZNJFBWYDHIGLCU-QKMQQOOLSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
jasmonates  The jasmonates (JAs) are a group of plant hormones which help regulate plant growth and development.
ChEBI Ontology
Outgoing Relation(s)
(+)-7-isojasmonic acid (CHEBI:18435) has role jasmonates (CHEBI:24937)
(+)-7-isojasmonic acid (CHEBI:18435) has role plant metabolite (CHEBI:76924)
(+)-7-isojasmonic acid (CHEBI:18435) is a oxo carboxylic acid (CHEBI:25754)
(+)-7-isojasmonic acid (CHEBI:18435) is a oxylipin (CHEBI:61121)
(+)-7-isojasmonic acid (CHEBI:18435) is conjugate acid of (+)-7-isojasmonate (CHEBI:136179)
Incoming Relation(s)
N-[(+)-7-isojasmonyl]-L-isoleucine (CHEBI:137043) has functional parent (+)-7-isojasmonic acid (CHEBI:18435)
tuberonic acid (CHEBI:133220) has functional parent (+)-7-isojasmonic acid (CHEBI:18435)
(+)-7-isojasmonate (CHEBI:136179) is conjugate base of (+)-7-isojasmonic acid (CHEBI:18435)
IUPAC Name 
{(1R,2S)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl}acetic acid
Synonyms  Source
(+)-7-isojasmonic acidChEBI
2-[(1R,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acidKEGG COMPOUND
(+)-Epijasmonic acidKNApSAcK
(+)-7-iso-jasmonic acidChEBI
Manual XrefsDatabases
C16317KEGG COMPOUND
LMFA02020003LIPID MAPS
C00000446KNApSAcK
CPD-731MetaCyc
Registry NumbersSources
Reaxys:4180666Reaxys