COMPOUND: C22454
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Entry
C22454 Compound
Name
11alpha-Hydroxy-9,15-dioxoprostanoate;
13,14-Dihydro-15-ketoprostaglandin E1
Formula
C20H34O5
Exact mass
354.2406
Mol weight
354.481
Structure
Mol file
KCF file
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Reaction
R13041
R13042
Enzyme
1.3.1.48
Other DBs
CAS:
5094-14-4
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KCF data
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ATOM 25
1 C1y C 14.8337 -15.4257
2 C1y C 14.8271 -16.8398
3 C5x C 13.4912 -14.9849
4 C1b C 16.0528 -14.7189
5 C1y C 13.4716 -17.2677
6 C1b C 16.0465 -17.5466
7 C1x C 12.6610 -16.1134
8 O5x O 13.0631 -13.6423
9 C1b C 17.2789 -15.4128
10 O1a O 12.8840 -18.4636
11 C1b C 17.2592 -16.8332
12 C1b C 18.4982 -14.7059
13 C5a C 18.4852 -17.5402
14 C1b C 19.7940 -15.3998
15 C1b C 19.7043 -16.8332
16 O5a O 18.4852 -18.9476
17 C1b C 20.9367 -14.6930
18 C1b C 20.9237 -17.5402
19 C1b C 22.2856 -15.3025
20 C1b C 22.1495 -16.8332
21 C6a C 23.3818 -14.6800
22 C1b C 23.3688 -17.5402
23 O6a O 24.6075 -15.3804
24 O6a O 23.3896 -13.3958
25 C1a C 24.6583 -16.9033
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 1
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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