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(3S,7S)-jasmonate

PropertiesImage
MNX_IDMNXM30122 Image of MNXM30122
referencechebi:138625
formulaC12H17O3
global charge-1
mol weight209.265
InChIKeyZNJFBWYDHIGLCU-CMIOBCHKSA-M
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-/m0/s1
SMILESCC/C=C\C[C@@H]1C(=O)CC[C@H]1CC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM30122
SMILES (mnx)[CH3:1][CH2:2]/[CH:3]=[CH:4]\[CH2:5][C@H:10]1[C@H:9]([CH2:8][C:12](=[O:14])[OH:15])[CH2:6][CH2:7][C:11]1=[O:13]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:138625
chebi:138625
ZNJFBWYDHIGLCU-CMIOBCHKSA-M 		(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
ZNJFBWYDHIGLCU-CMIOBCHKSA-M 		(+)-jasmonate
(3S,7S) (+)-jasmonate

CHEBI:139300
chebi:139300
ZNJFBWYDHIGLCU-CMIOBCHKSA-N 		(+)-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
ZNJFBWYDHIGLCU-CMIOBCHKSA-N 		(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