COMPOUND: C04835
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Entry
C04835 Compound
Name
(5Z,13E)-6,9alpha-Epoxy-11alpha-hydroxy-15-oxoprosta-5,13-dienoate;
15-Keto-prostaglandin I2
Formula
C20H30O5
Exact mass
350.2093
Mol weight
350.4492
Structure
Mol file
KCF file
DB search
Reaction
R03520
Pathway
map00590
Arachidonic acid metabolism
Enzyme
1.1.1.231
Brite
Lipids [BR:
br08002
]
FA Fatty acyls
FA03 Eicosanoids
FA0301 Prostaglandins
C04835 15-Keto-prostaglandin I2
BRITE hierarchy
Other DBs
CAS:
100311-07-7
PubChem:
7396
ChEBI:
15556
NIKKAJI:
J2.754.824E
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KCF data
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ATOM 25
1 C1y C 14.3477 -16.1591
2 C1y C 13.0402 -15.7400
3 C1y C 14.3477 -17.5167
4 C1x C 15.5177 -15.4648
5 O2x O 13.8172 -14.9080
6 C1x C 12.2521 -16.8473
7 C1y C 13.0466 -17.9422
8 C2b C 15.5239 -18.3387
9 C2y C 16.5437 -16.2593
10 O1a O 12.6275 -19.2372
11 C2b C 16.7063 -17.6567
12 C2b C 17.8699 -16.2593
13 C5a C 17.8824 -18.3387
14 C1b C 19.0461 -15.5773
15 C1b C 19.0586 -17.6567
16 O5a O 17.8824 -19.6325
17 C1b C 20.2285 -16.2593
18 C1b C 20.2410 -18.3387
19 C1b C 21.4046 -15.5773
20 C1b C 21.4172 -17.6567
21 C6a C 22.5808 -16.2593
22 C1b C 22.5933 -18.3387
23 O6a O 23.7568 -15.5711
24 O6a O 22.6258 -17.3115
25 C1a C 23.7757 -17.6567
BOND 26
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 2 5 1 #Down
5 2 6 1
6 3 7 1
7 3 8 1 #Up
8 4 9 1
9 7 10 1 #Down
10 8 11 2
11 9 12 2
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 9 1
26 6 7 1
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