KEGG   COMPOUND: C01226Help
Entry
C01226                      Compound                               

Name
12-OPDA;
(15Z)-12-Oxophyto-10,15-dienoate;
(15Z)-12-Oxophyto-10,15-dienoic acid;
9(S),13(S)-12-Oxo-PDA;
12-Oxo-10,15(Z)-phytodienoic acid
Formula
C18H28O3
Exact mass
292.2038
Mol weight
292.4131
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
alpha-Linolenic acid metabolism
Metabolic pathways
Biosynthesis of secondary metabolites
Module
M00113  
Jasmonic acid biosynthesis
Enzyme
1.3.1.42        5.3.99.6
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA02 Octadecanoids
   FA0201 12-oxophytodienoic acid metabolites
    C01226  (15Z)-12-Oxophyto-10,15-dienoic acid
BRITE hierarchy
Other DBs
PubChem: 
ChEBI: 
LIPIDMAPS: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        21
            1   C1y C    22.0871  -21.8021
            2   C1y C    22.1045  -20.4008
            3   C2x C    20.7500  -22.2225
            4   C1b C    23.2957  -22.5202
            5   C5x C    20.7733  -19.9629
            6   C1b C    23.3132  -19.7001
            7   C2x C    19.9443  -21.0721
            8   C1b C    24.5160  -21.8312
            9   O5x O    20.3996  -18.6024
            10  C2b C    24.5160  -20.4124
            11  C1b C    25.7130  -22.5378
            12  C2b C    25.9231  -20.4124
            13  C1b C    26.9390  -21.8546
            14  C1b C    27.1375  -19.7059
            15  C1b C    28.1360  -22.5611
            16  C1a C    28.3403  -20.4182
            17  C1b C    29.3563  -21.8779
            18  C1b C    30.5532  -22.5903
            19  C6a C    31.7793  -21.8954
            20  O6a O    32.9821  -22.6077
            21  O6a O    31.7735  -20.4942
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 2
            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

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