| Entry |
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| Name |
Estradiol-17alpha;
17alpha-Estradiol
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| Formula |
C18H24O2
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| Exact mass |
272.1776
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| Mol weight |
272.382
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| Structure |
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| Remark |
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| Reaction |
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| Pathway |
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| Enzyme |
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| Brite |
Compounds with biological roles [BR:br08001]
Steroids
18-Carbon atoms
Estrane derivatives
C02537 Estradiol-17alpha
Lipids [BR:br08002]
ST Sterol lipids
ST02 Steroids
ST0201 C18 steroids (estrogens) and derivatives
C02537 Estradiol-17alpha
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
Estrogen receptor
NR3A (ESR)
D07121 Alfatradiol (INN)
Enzymes
Oxidoreductases (EC1)
Dehydrogenases
SRD5A1
D07121 Alfatradiol (INN)
SRD5A2
D07121 Alfatradiol (INN)
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| Other DBs |
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| KCF data |
ATOM 20
1 C1y C 31.1532 -17.4922
2 C1y C 29.9968 -18.1631
3 C1z C 31.1532 -16.1562
4 C1x C 33.4595 -17.4981
5 C1y C 28.8467 -17.5042
6 C1x C 30.0029 -19.4930
7 C1x C 29.9909 -15.4972
8 C1y C 32.3153 -15.4852
9 C1a C 31.1052 -14.7724
10 C1x C 33.4655 -16.1622
11 C8y C 27.7023 -18.1751
12 C1x C 28.8707 -16.1202
13 C1x C 28.8526 -20.1520
14 O1a O 32.3033 -13.7719
15 C8y C 27.7023 -19.4871
16 C8x C 26.5581 -17.5220
17 C8x C 26.5581 -20.1581
18 C8x C 25.4320 -18.1751
19 C8y C 25.4320 -19.4871
20 O1a O 24.2996 -20.1341
BOND 23
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 3 9 1 #Up
9 4 10 1
10 5 11 1
11 5 12 1
12 6 13 1
13 8 14 1 #Down
14 11 15 2
15 11 16 1
16 15 17 1
17 16 18 2
18 17 19 2
19 19 20 1
20 7 12 1
21 8 10 1
22 13 15 1
23 18 19 1
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