COMPOUND: C13808
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Entry
C13808 Compound
Name
Levuglandin D2;
LGD2;
9,10-Seco-9,11-dioxo-15S-hydroxy-5Z,13E-prostadienoic acid;
9,10-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
C13808 Levuglandin D2
BRITE hierarchy
Other DBs
PubChem:
854053
ChEBI:
34820
LIPIDMAPS:
LMFA03100002
3DMET:
B04584
NIKKAJI:
J1.798.691K
LinkDB
All DBs
KCF data
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ATOM 25
1 C1c C 20.0749 -17.3350
2 C2b C 21.2960 -18.0400
3 C2b C 22.5171 -17.3350
4 C1c C 23.7382 -18.0400
5 C1b C 24.9593 -17.3350
6 C1b C 26.1803 -18.0400
7 C1b C 27.4014 -17.3350
8 C1b C 28.6225 -18.0400
9 C1a C 29.8436 -17.3350
10 O1a O 23.7382 -19.4500
11 C1c C 20.0749 -15.9250
12 C5a C 18.8529 -18.0400
13 C4a C 18.8529 -15.2199
14 O4a O 18.8529 -13.8100
15 C1b C 21.2981 -15.2212
16 C2b C 22.5202 -15.9264
17 C2b C 23.9303 -15.9264
18 C1a C 17.6339 -17.3357
19 C1b C 25.1532 -15.2220
20 C1b C 26.3755 -15.9272
21 C1b C 27.5977 -15.2220
22 C6a C 28.8199 -15.9272
23 O6a O 30.0422 -15.2220
24 O6a O 28.8199 -17.1024
25 O5a O 18.8525 -19.4377
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 2
14 11 15 1 #Down
15 15 16 1
16 16 17 2
17 12 18 1
18 17 19 1
19 19 20 1
20 20 21 1
21 21 22 1
22 22 23 1
23 22 24 2
24 12 25 2
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