COMPOUND: C04654
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Entry
C04654 Compound
Name
(13E)-11alpha-Hydroxy-9,15-dioxoprost-13-enoate;
15-Keto-prostaglandin E1
Formula
C20H32O5
Exact mass
352.225
Mol weight
352.4651
Structure
Mol file
KCF file
DB search
Reaction
R04552
R13041
R13042
Enzyme
1.1.1.197
1.3.1.48
Brite
Lipids [BR:
br08002
]
FA Fatty acyls
FA03 Eicosanoids
FA0301 Prostaglandins
C04654 15-Keto-prostaglandin E1
BRITE hierarchy
Other DBs
CAS:
22973-19-9
PubChem:
7240
ChEBI:
15548
LIPIDMAPS:
LMFA03010146
NIKKAJI:
J363.760C
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All DBs
KCF data
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ATOM 25
1 C1y C 13.9043 -13.4469
2 C1y C 13.8977 -14.8590
3 C5x C 12.5636 -13.0067
4 C1b C 15.1217 -12.7411
5 C1y C 12.5441 -15.2863
6 C2b C 15.1154 -15.5648
7 C1x C 11.7346 -14.1336
8 O5x O 12.1361 -11.6660
9 C1b C 16.3460 -13.4340
10 O1a O 11.9573 -16.4806
11 C2b C 16.3264 -14.8524
12 C1b C 17.5636 -12.7281
13 C5a C 17.5507 -15.5584
14 C1b C 18.8576 -13.4210
15 C1b C 18.7681 -14.8524
16 O5a O 17.5507 -16.9639
17 C1b C 19.9987 -12.7152
18 C1b C 19.9858 -15.5584
19 C1b C 21.3458 -13.3239
20 C1b C 21.2098 -14.8524
21 C6a C 22.4404 -12.7022
22 C1b C 22.4274 -15.5584
23 O6a O 23.6644 -13.4017
24 O6a O 22.4482 -11.4198
25 C1a C 23.7151 -14.9224
BOND 25
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 2 5 1
5 2 6 1 #Up
6 3 7 1
7 3 8 2
8 4 9 1
9 5 10 1 #Down
10 6 11 2
11 9 12 1
12 11 13 1
13 12 14 1
14 13 15 1
15 13 16 2
16 14 17 1
17 15 18 1
18 17 19 1
19 18 20 1
20 19 21 1
21 20 22 1
22 21 23 1
23 21 24 2
24 22 25 1
25 5 7 1
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