KEGG   COMPOUND: C04780
Entry
C04780                      Compound                               
Name
(9S,13S,15Z)-12-Oxo-10,11-dihydrophyto-15-enoate;
8-[(1S,2S)-3-Oxo-2-{(Z)-pent-2-enyl}cyclopentyl]octanoate;
OPC-8:0;
8-[(1S,2S)-3-Oxo-2-[(Z)-pent-2-enyl]cyclopentyl]octanoic acid;
(9S,13S)-10,11-Dihydro-12-oxo-15-phytoenoate
Formula
C18H30O3
Exact mass
294.2195
Mol weight
294.43
Structure
Reaction
R03401 R07887
Pathway
map00592  alpha-Linolenic acid metabolism
map01070  Biosynthesis of plant hormones
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00113  Jasmonic acid biosynthesis
Enzyme
1.3.1.42        6.2.1.-
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA02 Octadecanoids
   FA0201 12-oxophytodienoic acid metabolites
    C04780  8-[(1S,2S)-3-Oxo-2-[(Z)-pent-2-enyl]cyclopentyl]octanoic acid
Other DBs
PubChem: 7344
ChEBI: 137132
LIPIDMAPS: LMFA02010007
KNApSAcK: C00000366
NIKKAJI: J1.078.810B
KCF data

ATOM        21
            1   C1y C    22.0807  -21.7886
            2   C1y C    22.0981  -20.3873
            3   C1x C    20.7436  -22.2090
            4   C1b C    23.2893  -22.5067
            5   C5x C    20.7669  -19.9494
            6   C1b C    23.3068  -19.6866
            7   C1x C    19.9379  -21.0587
            8   C1b C    24.5096  -21.8177
            9   O5x O    20.3932  -18.5889
            10  C2b C    24.5096  -20.3990
            11  C1b C    25.7066  -22.5243
            12  C2b C    25.9167  -20.3990
            13  C1b C    26.9326  -21.8411
            14  C1b C    27.1311  -19.6924
            15  C1b C    28.1296  -22.5477
            16  C1a C    28.3339  -20.4047
            17  C1b C    29.3499  -21.8645
            18  C1b C    30.5468  -22.5768
            19  C6a C    31.7729  -21.8819
            20  O6a O    32.9757  -22.5942
            21  O6a O    31.7671  -20.4808
BOND        21
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 1 #Up
            6     3   7 1
            7     4   8 1
            8     5   9 2
            9     6  10 1
            10    8  11 1
            11   10  12 2
            12   11  13 1
            13   12  14 1
            14   13  15 1
            15   14  16 1
            16   15  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   19  21 2
            21    5   7 1

» Japanese version

  All links  
Chemical substance (5)   
   PubChem (1)   
   ChEBI (1)   
   KNApSAcK (1)   
   LIPIDMAPS (1)   
   NIKKAJI (1)   
All databases (5)   

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