COMPOUND: C13807
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Entry
C13807 Compound
Name
Levuglandin E2;
LGE2;
10,11-Seco-9,11-dioxo-15S-hydroxy-5Z,13E-prostadienoic acid;
10,11-Seco-9,11-dioxo-15S-hydroxy-5Z,13E-prostadienoate
Formula
C20H32O5
Exact mass
352.225
Mol weight
352.4651
Structure
Mol file
KCF file
DB search
Brite
Lipids [BR:
br08002
]
FA Fatty acyls
FA03 Eicosanoids
FA0310 Levuglandins
C13807 Levuglandin E2
BRITE hierarchy
Other DBs
PubChem:
854052
ChEBI:
34821
LIPIDMAPS:
LMFA03100001
3DMET:
B04583
NIKKAJI:
J316.465I
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All DBs
KCF data
Show
ATOM 25
1 C1c C 25.2040 -17.8438
2 C2b C 26.4246 -18.5486
3 C2b C 27.6452 -17.8438
4 C1c C 28.8658 -18.5486
5 C1b C 30.0865 -17.8438
6 C1b C 31.3071 -18.5486
7 C1b C 32.5277 -17.8438
8 C1b C 33.7483 -18.5486
9 C1a C 34.9689 -17.8438
10 O1a O 28.8658 -19.9580
11 C1c C 25.2040 -16.4344
12 C4a C 23.9825 -18.5486
13 C5a C 23.9825 -15.7297
14 C1a C 22.7610 -16.4344
15 O5a O 23.9825 -14.3203
16 C1b C 26.4266 -15.7310
17 C2b C 27.6482 -16.4358
18 C2b C 29.0578 -16.4358
19 O4a O 22.7639 -17.8445
20 C1b C 30.2804 -15.7318
21 C1b C 31.5022 -16.4366
22 C1b C 32.7239 -15.7318
23 C6a C 33.9456 -16.4366
24 O6a O 35.1674 -15.7318
25 O6a O 33.9456 -17.6113
BOND 24
1 1 2 1 #Up
2 2 3 2
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 4 10 1 #Down
10 1 11 1
11 1 12 1
12 11 13 1
13 13 14 1
14 13 15 2
15 11 16 1 #Down
16 16 17 1
17 17 18 2
18 12 19 2
19 18 20 1
20 20 21 1
21 21 22 1
22 22 23 1
23 23 24 1
24 23 25 2
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