COMPOUND: C14811
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Entry
C14811 Compound
Name
Trioxilin B3;
(5Z,8Z,14Z)-(11R,12R)-10,11,12-Trihydroxyeicosa-5,8,14-trienoic acid;
(5Z,8Z,14Z)-(11R,12R)-10,11,12-Trihydroxyicosa-5,8,14-trienoic acid
Formula
C20H34O5
Exact mass
354.2406
Mol weight
354.48
Structure
Mol file
KCF file
DB search
Reaction
R07037
Pathway
map00590
Arachidonic acid metabolism
Enzyme
3.3.2.-
Brite
Lipids [BR:
br08002
]
FA Fatty acyls
FA03 Eicosanoids
FA0309 Hepoxilins
C14811 Trioxilin B3
BRITE hierarchy
Other DBs
PubChem:
17395809
ChEBI:
182157
35032
LIPIDMAPS:
LMFA03090004
NIKKAJI:
J506.629H
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All DBs
KCF data
Show
ATOM 25
1 C2b C 13.9991 -14.5117
2 C1c C 13.3091 -15.7538
3 C1c C 13.9991 -16.9267
4 C1c C 13.3091 -18.0998
5 C1b C 13.9991 -19.2729
6 C2b C 15.1721 -18.5828
7 C2b C 16.5522 -18.5828
8 C1b C 17.7253 -19.2729
9 C1b C 18.8982 -18.5828
10 C1b C 20.0713 -19.2729
11 C1b C 21.2443 -18.5828
12 C1a C 22.4173 -19.2729
13 C2b C 15.4041 -14.5117
14 C1b C 16.6208 -15.2142
15 C2b C 17.8377 -14.5117
16 C2b C 19.2427 -14.5117
17 C1b C 20.4594 -15.2142
18 C1b C 21.6650 -14.5428
19 C1b C 22.8818 -15.2453
20 C6a C 24.0986 -14.5428
21 O6a O 25.3153 -15.2453
22 O6a O 24.0986 -13.1378
23 O1a O 11.9519 -15.3901
24 O1a O 15.3991 -16.9267
25 O1a O 11.9091 -18.0998
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 1 13 2
13 13 14 1
14 14 15 1
15 15 16 2
16 16 17 1
17 17 18 1
18 18 19 1
19 19 20 1
20 20 21 1
21 20 22 2
22 2 23 1 #Either
23 3 24 1 #Down
24 4 25 1 #Up
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