| Entry |
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| Name |
Estrone sodium sulfate;
Sodium estrone sulfate
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| Formula |
C18H21O5S. Na
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| Exact mass |
372.1007
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| Mol weight |
372.4111
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| Structure |
     |
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| Remark |
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| Comment |
Component of Estrogens, conjugated [DR: D04070]
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| Target |
estrogen receptor 1 agonist [HSA: 2099] [KO: K08550]; estrogen receptor 2 agonist [HSA: 2100] [KO: K08551] |
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| Interaction |
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| Structure map |
| Progesterone, androgen and estrogen receptor agonists/antagonists |
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
G GENITO URINARY SYSTEM AND SEX HORMONES
G03 SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
G03C ESTROGENS
G03CA Natural and semisynthetic estrogens, plain
G03CA07 Estrone
D00312 Estrone sodium sulfate
G03CC Estrogens, combinations with other drugs
G03CC04 Estrone
D00312 Estrone sodium sulfate
USP drug classification [BR:br08302]
Hormonal Agents
Hormonal Agents, Stimulant / Replacement / Modifying (Sex Hormones/ Modifiers)
Estrogens
Estrone
D00312 Estrone sodium sulfate
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
Estrogen receptor
estrogen receptor 1 [HSA:2099] [KO:K08550]
Estrone [ATC:G03CA07 G03CC04]
D00312 Estrone sodium sulfate
estrogen receptor 2 [HSA:2100] [KO:K08551]
Estrone [ATC:G03CA07 G03CC04]
D00312 Estrone sodium sulfate
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| Other DBs |
CAS: 438-67-5 PubChem: DrugBank: LigandBox: NIKKAJI: |
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| KCF data |
ATOM 25
1 C8x C 22.4000 -28.3500
2 C8y C 22.4000 -29.7500
3 C8x C 23.5900 -30.4500
4 C8y C 24.8500 -29.7500
5 C8y C 24.8500 -28.3500
6 C8x C 23.5900 -27.6500
7 C1x C 26.0400 -30.4500
8 C1x C 27.2300 -29.7500
9 C1y C 27.2300 -28.3500
10 C1y C 26.0400 -27.6500
11 C1y C 28.4900 -27.6500
12 C1z C 28.4900 -26.2500
13 C1x C 27.2300 -25.5500
14 C1x C 26.0400 -26.2500
15 O2a O 21.2100 -30.4500
16 S4a S 20.0200 -29.7500
17 O1d O 18.7600 -29.0500 #-
18 O1d O 20.7200 -28.5600
19 O1d O 19.3200 -30.9400
20 C1a C 28.4900 -24.8500
21 C1x C 30.9149 -27.6500
22 C1x C 30.9149 -26.2500
23 C5x C 29.7024 -25.5500
24 O5x O 29.7024 -24.1502
25 Z Na 16.8700 -29.0500 #+
BOND 27
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 2 15 1
18 15 16 1
19 16 17 1
20 16 18 2
21 16 19 2
22 12 20 1 #Up
23 11 21 1
24 21 22 1
25 22 23 1
26 12 23 1
27 23 24 2
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