COMPOUND: C01226
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Entry
C01226 Compound
Name
(9S,13S,15Z)-12-Oxophyto-10,15-dienoate;
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;
(9S,13S)-12-Oxophytodienoate;
(9S,13S)-OPDA
Formula
C18H28O3
Exact mass
292.2038
Mol weight
292.4131
Structure
Mol file
KCF file
DB search
Reaction
R03401
R03402
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
LIPIDMAPS:
LMFA02010001
KNApSAcK:
C00000365
3DMET:
B01414
NIKKAJI:
J264.010D
LinkDB
All DBs
KCF data
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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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