COMPOUND: C15450
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Entry
C15450 Compound
Name
S 1033;
(5Z,9alpha,11alpha,13E)-9,11-Dihydroxyprosta-5,13-dien-1-oic acid monosodium salt
Formula
C20H33O4. Na
Exact mass
360.2277
Mol weight
360.4634
Structure
Mol file
KCF file
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Pathway
map07035
Prostaglandins
Other DBs
PubChem:
17396447
ChEBI:
79948
NIKKAJI:
J609.496A
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KCF data
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ATOM 25
1 C1y C 24.9659 -17.0450
2 C1y C 24.9659 -15.6420
3 C1y C 23.6315 -15.2084
4 C1x C 22.8068 -16.3435
5 C1y C 23.6315 -17.4786
6 C1b C 26.1809 -14.9404
7 C2b C 27.3961 -15.6420
8 C2b C 28.7991 -15.6420
9 C1b C 30.0393 -14.9404
10 C1b C 31.2545 -15.6420
11 C1b C 32.4695 -14.9404
12 C6a C 33.6846 -15.6420
13 O6a O 34.8997 -14.9404 #-
14 O6a O 33.6846 -16.9748
15 C2b C 26.1809 -17.7465
16 C2b C 27.3961 -17.0450
17 C1b C 28.6111 -17.7465
18 C1b C 29.8262 -17.0450
19 C1b C 31.0413 -17.7465
20 C1b C 32.2564 -17.0450
21 C1b C 33.4714 -17.7465
22 C1a C 34.6865 -17.0450
23 O1a O 23.2017 -13.8859
24 O1a O 23.2017 -18.8010
25 Z Na 36.8900 -14.9800 #+
BOND 24
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 1 5 1
6 2 6 1 #Down
7 6 7 1
8 7 8 2
9 8 9 1
10 9 10 1
11 10 11 1
12 11 12 1
13 12 13 1
14 12 14 2
15 1 15 1 #Up
16 15 16 2
17 16 17 1
18 17 18 1
19 18 19 1
20 19 20 1
21 20 21 1
22 21 22 1
23 3 23 1 #Down
24 5 24 1 #Down
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