KEGG   COMPOUND: C13816
Entry
C13816                      Compound                               
Name
(9R,13R)-12-Oxo-phytodienoic acid;
(9R,13R)-12-Oxo-phyto-10Z,15Z-dienoic acid;
(10Z,15Z)-(9R,13R)-12-Oxophyto-10,15-dienoic acid;
(15Z)-12-Oxophyto-10,15-dienoate;
(9R,13R)-OPDA
Formula
C18H28O3
Exact mass
292.2038
Mol weight
292.4131
Structure
Reaction
Enzyme
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA02 Octadecanoids
   FA0201 12-oxophytodienoic acid metabolites
    C13816  (10Z,15Z)-(9R,13R)-12-Oxophyto-10,15-dienoic acid
Other DBs
PubChem: 854061
3DMET: B04590
NIKKAJI: J1.962.683K
LinkDB
KCF data

ATOM        21
            1   C1y C    24.5194  -15.9674
            2   C1y C    24.5194  -17.3692
            3   C2x C    23.1644  -15.5468
            4   C1b C    25.7343  -15.2197
            5   C5x C    23.2110  -17.7897
            6   C1b C    25.7343  -18.0701
            7   C2x C    22.3700  -16.6683
            8   C1b C    26.9492  -15.9206
            9   O5x O    22.8373  -19.1447
            10  C2b C    26.9492  -17.3692
            11  C1b C    28.1173  -15.2197
            12  C2b C    28.3510  -17.3692
            13  C1b C    29.3790  -15.9206
            14  C1b C    29.5659  -18.0701
            15  C1b C    30.5472  -15.2197
            16  C1a C    30.7808  -17.3224
            17  C1b C    31.8088  -15.8740
            18  C1b C    32.9770  -15.1731
            19  C6a C    34.1918  -15.8740
            20  O6a O    35.4067  -15.1731
            21  O6a O    34.1918  -17.2758
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

» Japanese version

DBGET integrated database retrieval system