COMPOUND: C14808
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Entry
C14808 Compound
Name
Hepoxilin A3;
(5Z,9E,14Z)-(11S,12S)-11,12-Epoxy-8-hydroxyeicosa-5,9,14-trienoic acid;
(5Z,9E,14Z)-(11S,12S)-11,12-Epoxy-8-hydroxyicosa-5,9,14-trienoic acid
Formula
C20H32O4
Exact mass
336.2301
Mol weight
336.4657
Structure
Mol file
KCF file
DB search
Reaction
R07036
R07039
Pathway
map00590
Arachidonic acid metabolism
map01100
Metabolic pathways
Enzyme
3.3.2.7
5.4.4.7
Brite
Lipids [BR:
br08002
]
FA Fatty acyls
FA03 Eicosanoids
FA0309 Hepoxilins
C14808 Hepoxilin A3
BRITE hierarchy
Other DBs
PubChem:
17395806
ChEBI:
36190
LIPIDMAPS:
LMFA03090005
NIKKAJI:
J640.451K
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All DBs
KCF data
Show
ATOM 24
1 C1b C 28.3777 -19.8401
2 C1b C 29.5650 -20.5385
3 C1b C 30.7522 -19.8401
4 C6a C 31.9395 -20.5385
5 O6a O 33.1268 -19.8401
6 C2b C 27.1905 -20.5385
7 O6a O 31.9395 -21.9353
8 C2b C 25.7937 -20.5385
9 C1b C 24.6064 -19.8401
10 C1c C 23.4192 -20.5385
11 C2b C 24.1176 -21.7258
12 C2b C 23.4192 -22.9829
13 C1y C 24.1176 -24.1701
14 C1y C 23.4192 -25.3574
15 C1b C 24.1176 -26.5447
16 C2b C 25.3048 -25.8463
17 C2b C 26.7016 -25.8463
18 C1b C 27.8889 -26.5447
19 C1b C 29.0761 -25.8463
20 C1b C 30.2634 -26.5447
21 C1b C 31.4506 -25.8463
22 C1a C 32.6379 -26.5447
23 O1a O 21.5771 -19.9780
24 O2x O 22.5113 -24.1003
BOND 24
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 6 1
6 4 7 2
7 6 8 2
8 8 9 1
9 9 10 1
10 10 11 1
11 11 12 2
12 12 13 1
13 13 14 1
14 14 15 1
15 15 16 1
16 16 17 2
17 17 18 1
18 18 19 1
19 19 20 1
20 20 21 1
21 21 22 1
22 10 23 1 #Either
23 13 24 1 #Down
24 14 24 1 #Down
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