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 search
Reaction
Pathway
map00592  alpha-Linolenic acid metabolism
map01100  Metabolic pathways
map01110  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: 4448
ChEBI: 15560
KNApSAcK: C00000365
3DMET: B01414
NIKKAJI: J264.010D
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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Ontology (1)   
   KEGG BRITE (1)   
Pathway (4)   
   KEGG PATHWAY (3)   
   KEGG MODULE (1)   
Chemical substance (5)   
   PubChem (1)   
   ChEBI (1)   
   3DMET (1)   
   KNApSAcK (1)   
   NIKKAJI (1)   
Chemical reaction (4)   
   KEGG ENZYME (2)   
   KEGG REACTION (2)   
Gene (978)   
   KEGG GENES (978)   
All databases (992)   

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