KEGG   COMPOUND: C08491
Entry
C08491                      Compound                               
Name
(-)-Jasmonic acid;
Jasmonic acid;
{(1R,2R)-3-Oxo-2-[(Z)pent-2-enyl]cyclopent-2-enyl}acetic acid;
Jasmonate;
(-)-Jasmonate
Formula
C12H18O3
Exact mass
210.1256
Mol weight
210.2695
Structure
Reaction
Pathway
map00592  alpha-Linolenic acid metabolism
map01060  Biosynthesis of plant secondary metabolites
map01070  Biosynthesis of plant hormones
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map04075  Plant hormone signal transduction
Module
M00113  Jasmonic acid biosynthesis
Enzyme
1.14.13.228     2.1.1.141       3.5.1.127       6.3.2.52
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA02 Octadecanoids
   FA0202 Jasmonic acids
    C08491  (-)-Jasmonic acid
Phytochemical compounds [BR:br08003]
 Fatty acids related compounds
  Fatty acids
   Others
    C08491  Jasmonate
Other DBs
CAS: 6894-38-8
PubChem: 10684
ChEBI: 181431 18292
LIPIDMAPS: LMFA02020001
KNApSAcK: C00000218 C00049053
PDB-CCD: JAA[PDBj]
3DMET: B02184
NIKKAJI: J15.678G
KCF data

ATOM        15
            1   C1y C    26.7465  -16.8382
            2   C1y C    26.7406  -18.2264
            3   C5x C    25.4283  -16.4182
            4   C1b C    28.1522  -15.5958
            5   C1x C    25.4457  -18.6522
            6   C1b C    27.9363  -18.9088
            7   C1x C    24.6233  -17.5439
            8   O5x O    24.9792  -15.0709
            9   C2b C    29.3421  -16.2957
            10  C6a C    29.1263  -18.2264
            11  C2b C    30.7070  -16.2957
            12  O6a O    30.3161  -18.9088
            13  C1b C    31.8911  -15.5958
            14  C1a C    33.0692  -16.2783
            15  O6a O    29.1194  -17.0241
BOND        15
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Down
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     6  10 1
            10    9  11 2
            11   10  12 1
            12   11  13 1
            13   13  14 1
            14    5   7 1
            15   10  15 2

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