Entry |
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Name |
Estradiol-17beta;
Estradiol;
beta-Estradiol
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Formula |
C18H24O2
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Exact mass |
272.1776
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Mol weight |
272.38
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Structure |
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Remark |
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Reaction |
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Pathway |
map04961 | Endocrine and other factor-regulated calcium reabsorption |
map05207 | Chemical carcinogenesis - receptor activation |
map05208 | Chemical carcinogenesis - reactive oxygen species |
map07226 | Progesterone, androgen and estrogen receptor agonists/antagonists |
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Network |
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Enzyme |
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Brite |
Compounds with biological roles [BR:br08001]
Steroids
18-Carbon atoms
Estrane derivatives
C00951 Estradiol-17beta
Hormones and transmitters
Steroid hormones
Estrogens
C00951 Estradiol-17beta (E2)
Lipids [BR:br08002]
ST Sterol lipids
ST02 Steroids
ST0201 C18 steroids (estrogens) and derivatives
C00951 Estradiol-17beta
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
G03CA03 Estradiol
D00105 Estradiol (JAN/USP/INN) <JP/US>
USP drug classification [BR:br08302]
Hormonal Agents, Stimulant/Replacement/Modifying (Sex Hormones/Modifiers)
Estrogens
Estradiol
D00105 Estradiol (JAN/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
2 Agents affecting individual organs
24 Hormones
247 Estrogen and progesterone preparations
2473 Estradiols
D00105 Estradiol (JAN/USP/INN)
Classification of Japanese OTC drugs [BR:br08313]
Drugs for women
51 Other drugs for women
D00105 Estradiol (JAN/USP/INN)
Risk category of Japanese OTC drugs [BR:br08312]
Designated second-class OTC drugs
Inorganic and organic chemicals
Estradiol
D00105 Estradiol (JAN/USP/INN)
Second-class OTC drugs
Inorganic and organic chemicals
Estradiol
D00105 Estradiol (JAN/USP/INN)
Drug groups [BR:br08330]
Hormonal agent
DG01986 Estrogen
DG00462 Estradiol
D00105 Estradiol
DG01584 Estrogen receptor agonist
DG00462 Estradiol
D00105 Estradiol
Musculo-skeletal system agent
DG03232 Osteoporosis agent
D00105 Estradiol
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00462 Estradiol
D00105 Estradiol
Drug classes [BR:br08332]
Endocrine and hormonal agent
DG01986 Estrogen
D00105 Estradiol
DG01584 Estrogen receptor agonist
D00105 Estradiol
Musculo-skeletal system agent
DG03232 Osteoporosis agent
D00105 Estradiol
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
Estrogen receptor
NR3A (ESR)
D00105 Estradiol (JAN/USP/INN) <JP/US>
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D00105
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Other DBs |
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LinkDB |
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KCF data |
ATOM 20
1 C1y C 29.8071 -16.8405
2 C1y C 28.6258 -17.5189
3 C1z C 29.8129 -15.4839
4 C1x C 32.2219 -16.8697
5 C1y C 27.4504 -16.8229
6 C1x C 28.6258 -18.8813
7 C1x C 28.6492 -14.7938
8 C1y C 30.9999 -14.8172
9 C1a C 29.8071 -14.1213
10 C1x C 32.1696 -15.5130
11 C8y C 26.2635 -17.5072
12 C1x C 27.4621 -15.4662
13 C1x C 27.4387 -19.5538
14 O1a O 30.9942 -13.4489
15 C8y C 26.2577 -18.8696
16 C8x C 25.0823 -16.8229
17 C8x C 25.0823 -19.5479
18 C8x C 23.9069 -17.5072
19 C8y C 23.9710 -18.8696
20 O1a O 22.7139 -19.5479
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 #Up
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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