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CHEBI:139300 - (+)-jasmonic acid

ChEBI IDCHEBI:139300
ChEBI Name(+)-jasmonic acid
Stars
DefinitionAn oxo monocarboxylic acid that is (3-oxocyclopentyl)acetic acid substituted by a (2Z)-pent-2-en-1-yl group at position 2 of the cyclopentane ring.
Last Modified14 December 2017
SubmitterSteve
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-/m0/s1
InChIKeyZNJFBWYDHIGLCU-CMIOBCHKSA-N
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)
(+)-jasmonic acid (CHEBI:139300) has role jasmonates (CHEBI:24937)
(+)-jasmonic acid (CHEBI:139300) is a cyclopentanones (CHEBI:36140)
(+)-jasmonic acid (CHEBI:139300) is a oxo monocarboxylic acid (CHEBI:35871)
(+)-jasmonic acid (CHEBI:139300) is conjugate acid of (+)-jasmonic acid anion (CHEBI:138625)
(+)-jasmonic acid (CHEBI:139300) is enantiomer of jasmonic acid (CHEBI:18292)
Incoming Relation(s)
(+)-jasmonic acid anion (CHEBI:138625) is conjugate base of (+)-jasmonic acid (CHEBI:139300)
jasmonic acid (CHEBI:18292) is enantiomer of (+)-jasmonic acid (CHEBI:139300)
IUPAC Name 
{(1S,2S)-3-oxo-2-[(2 Z)-pent-2-en-1-yl]cyclopentyl}acetic acid
Synonym  Source
(1S,2S)-jasmonic acidChEBI
Registry NumbersSources
Reaxys:2415413Reaxys