COMPOUND: C04780
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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
Mol file
KCF file
DB search
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
BRITE hierarchy
Other DBs
PubChem:
7344
ChEBI:
137132
LIPIDMAPS:
LMFA02010007
KNApSAcK:
C00000366
NIKKAJI:
J1.078.810B
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All DBs
KCF data
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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
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