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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (+)-7-isojasmonic acid
ChEBI ID CHEBI:18435
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C12H18O3
Net Charge 0
Average Mass 210.26950
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+/m1/s1
InChIKey ZNJFBWYDHIGLCU-QKMQQOOLSA-N
SMILES CC\C=C/C[C@H]1[C@H](CCC1=O)CC(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (+)-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 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 Sources
(+)-7-isojasmonic acid ChEBI
(+)-Epijasmonic acid KNApSAcK
2-[(1R,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid KEGG COMPOUND
Manual Xrefs Databases
C00000446 KNApSAcK
C16317 KEGG COMPOUND
CPD-731 MetaCyc
LMFA02020003 LIPID MAPS
View more database links
Registry Number Type Source
4180666 Reaxys Registry Number Reaxys
Last Modified
12 May 2017