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(3S,7S)-jasmonate

Properties

Image

Occurences in reactions

MNX_ID

MNXM30122

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₁₂H₁₇O₃

charge

-1

mass

209.11832

reference

InChIKey

ZNJFBWYDHIGLCU-CMIOBCHKSA-M

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)/p-1/b4-3-/t9-,10-/m0/s1

SMILES

CC/C=C\C[C@@H]1C(=O)CC[C@H]1CC(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:138625 chebi:138625	(3S,7S)-jasmonate (+)-jasmonic acid anion (1S,2S)-jasmonic acid anion {(1S,2S)-3-oxo-2-[(2 Z)-pent-2-en-1-yl]cyclopentyl}acetate
metacyc.compound:CPD-5943 metacycM:CPD-5943 seed.compound:cpd24602 seedM:cpd24602	(+)-jasmonate (3S,7S) (+)-jasmonate
CHEBI:139300 chebi:139300	(+)-jasmonic acid (1S,2S)-jasmonic acid {(1S,2S)-3-oxo-2-[(2 Z)-pent-2-en-1-yl]cyclopentyl}acetic acid
lipidmaps:LMFA02020017 lipidmapsM:LMFA02020017	(3S,7S)-Jasmonic acid (+)-Jasmonic acid (1S,2S)-3-oxo-2-(pent-2Z-enyl)- cyclopentaneacetic acid FA 12:3 O
seedM:M_cpd24602	secondary/obsolete/fantasy identifier