COMPOUND: C04042
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Entry
C04042 Compound
Name
20alpha-Hydroxy-4-pregnen-3-one;
20alpha-Hydroxypregn-4-en-3-one;
20alpha-Hydroxyprogesterone;
(S)-20-Hydroxypregn-4-en-3-one
Formula
C21H32O2
Exact mass
316.2402
Mol weight
316.4776
Structure
Mol file
KCF file
DB search
Reaction
R02207
R02209
Pathway
map00140
Steroid hormone biosynthesis
map01100
Metabolic pathways
Enzyme
1.1.1.149
Other DBs
CAS:
145-14-2
PubChem:
6743
ChEBI:
28453
LIPIDMAPS:
LMST02030169
3DMET:
B04922
NIKKAJI:
J6.126C
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All DBs
KCF data
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ATOM 23
1 C1y C 26.4199 -16.6959
2 C1y C 27.5954 -17.3757
3 C1z C 25.2501 -17.3817
4 C1x C 26.4076 -15.3366
5 C1y C 28.7774 -16.6836
6 C1x C 27.6016 -18.7350
7 C2y C 25.2501 -18.7288
8 C1x C 24.0807 -16.7203
9 C1x C 27.5894 -14.6445
10 C1z C 28.7835 -15.3242
11 C1x C 31.1410 -16.6259
12 C1x C 26.4259 -19.4086
13 C2x C 24.0807 -19.4086
14 C1x C 22.9295 -17.3817
15 C1y C 29.9652 -14.6384
16 C1x C 31.1410 -15.3302
17 C5x C 22.9295 -18.7288
18 C1c C 29.9714 -13.3097
19 O5x O 21.7721 -19.3902
20 C1a C 28.8202 -12.6360
21 O1a O 31.1225 -12.6483
22 C1a C 28.7835 -13.9242
23 C1a C 25.2501 -15.9817
BOND 26
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 1
9 5 10 1
10 5 11 1
11 6 12 1
12 7 13 2
13 8 14 1
14 10 15 1
15 11 16 1
16 13 17 1
17 15 18 1
18 17 19 2
19 18 20 1
20 18 21 1 #Down
21 7 12 1
22 9 10 1
23 14 17 1
24 15 16 1
25 10 22 1 #Up
26 3 23 1 #Up
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