COMPOUND: C14810
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Entry
C14810 Compound
Name
Hepoxilin B3;
(5Z,8Z,14Z)-(11S,12S)-11,12-Epoxy-10-hydroxyeicosa-5,8,14-trienoic acid;
(5Z,8Z,14Z)-(11S,12S)-11,12-Epoxy-10-hydroxyicosa-5,8,14-trienoic acid
Formula
C20H32O4
Exact mass
336.2301
Mol weight
336.4657
Structure
Mol file
KCF file
DB search
Reaction
R07037
R07040
Pathway
map00590
Arachidonic acid metabolism
map01100
Metabolic pathways
Enzyme
3.3.2.-
5.4.4.7
Brite
Lipids [BR:
br08002
]
FA Fatty acyls
FA03 Eicosanoids
FA0309 Hepoxilins
C14810 Hepoxilin B3
BRITE hierarchy
Other DBs
PubChem:
17395808
ChEBI:
34784
LIPIDMAPS:
LMFA03090003
NIKKAJI:
J343.414A
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All DBs
KCF data
Show
ATOM 24
1 C2b C 15.4838 -14.7391
2 C1c C 14.7962 -15.9767
3 C1y C 15.4838 -17.1455
4 C1y C 14.7962 -18.3144
5 C1b C 15.4838 -19.4833
6 C2b C 16.6526 -18.7957
7 C2b C 18.0278 -18.7957
8 C1b C 19.1967 -19.4833
9 C1b C 20.3655 -18.7957
10 C1b C 21.5344 -19.4833
11 C1b C 22.7032 -18.7957
12 C1a C 23.8720 -19.4833
13 O2x O 13.9024 -17.0768
14 C2b C 16.8838 -14.7391
15 C1b C 18.0962 -15.4391
16 C2b C 19.3087 -14.7391
17 C2b C 20.7087 -14.7391
18 C1b C 21.9211 -15.4391
19 C1b C 23.1224 -14.7700
20 C1b C 24.3349 -15.4700
21 C6a C 25.5473 -14.7700
22 O6a O 26.7597 -15.4700
23 O6a O 25.5473 -13.3700
24 O1a O 13.4439 -15.6143
BOND 24
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 2
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 3 13 1 #Down
13 4 13 1 #Down
14 1 14 2
15 14 15 1
16 15 16 1
17 16 17 2
18 17 18 1
19 18 19 1
20 19 20 1
21 20 21 1
22 21 22 1
23 21 23 2
24 2 24 1 #Either
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