COMPOUND: C04843
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Entry
C04843 Compound
Name
(5Z,9E,14Z)-(8xi,11xi,12S)-8,11,12-Trihydroxyicosa-5,9,14-trienoate;
(5Z,9E,14Z)-(8xi,11xi,12S)-8,11,12-Trihydroxyicosa-5,9,14-trienoic acid;
Trioxilin A3
Formula
C20H34O5
Exact mass
354.2406
Mol weight
354.481
Structure
Mol file
KCF file
DB search
Reaction
R04609
Enzyme
3.3.2.7
Brite
Lipids [BR:
br08002
]
FA Fatty acyls
FA03 Eicosanoids
FA0309 Hepoxilins
C04843 Trioxilin A3
BRITE hierarchy
Other DBs
PubChem:
7400
ChEBI:
15630
LIPIDMAPS:
LMFA03050022
3DMET:
B04965
NIKKAJI:
J2.755.942E
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All DBs
KCF data
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ATOM 25
1 C2b C 13.7237 -18.2441
2 C1c C 13.7237 -19.6407
3 C2b C 14.9337 -17.5425
4 C1c C 14.9337 -20.3421
5 O1a O 12.5137 -20.3421
6 C1c C 14.9337 -16.1395
7 C1b C 14.9337 -21.7387
8 O1a O 16.1500 -19.6407
9 C1b C 16.1500 -15.4445
10 O1a O 13.7237 -15.4445
11 C2b C 16.1500 -22.4403
12 C2b C 16.1500 -14.0415
13 C2b C 17.3600 -21.7387
14 C2b C 17.3600 -13.3399
15 C1b C 17.3600 -20.3421
16 C1b C 18.5700 -14.0415
17 C1b C 18.5700 -19.6407
18 C1b C 19.7863 -13.3399
19 C1b C 18.5700 -18.2441
20 C1b C 20.9963 -14.0415
21 C1b C 19.7863 -17.5425
22 C6a C 22.2063 -13.3399
23 C1a C 19.7863 -16.1395
24 O6a O 23.4226 -14.0350
25 O6a O 22.1998 -11.9370
BOND 24
1 1 2 1
2 1 3 2
3 2 4 1
4 2 5 1
5 3 6 1
6 4 7 1
7 4 8 1 #Up
8 6 9 1
9 6 10 1
10 7 11 1
11 9 12 1
12 11 13 2
13 12 14 2
14 13 15 1
15 14 16 1
16 15 17 1
17 16 18 1
18 17 19 1
19 18 20 1
20 19 21 1
21 20 22 1
22 21 23 1
23 22 24 1
24 22 25 2
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