| Entry |
|
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| Name |
Estrone;
3-Hydroxy-1,3,5(10)-estratrien-17-one
|
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| Formula |
C18H22O2
|
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| Exact mass |
270.1620
|
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| Mol weight |
270.37
|
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| Structure |
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| Remark |
|
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| Reaction |
|
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| Pathway |
| map07226 | Progesterone, androgen and estrogen receptor agonists/antagonists |
|
|---|
| Module |
| M00110 | C19/C18-Steroid hormone biosynthesis, pregnenolone => androstenedione => estrone |
|
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| Network |
nt06019 Steroid hormone biosynthesis |
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| Enzyme |
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| Brite |
Compounds with biological roles [BR:br08001]
Steroids
18-Carbon atoms
Estrane derivatives
C00468 Estrone
Hormones and transmitters
Steroid hormones
Estrogens
C00468 Estrone (E1)
Lipids [BR:br08002]
ST Sterol lipids
ST02 Steroids
ST0201 C18 steroids (estrogens) and derivatives
C00468 Estrone
Phytochemical compounds [BR:br08003]
Terpenoids
Steroids
Estrane
C00468 Estrone
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
D00067 Estrone (JAN/USP/INN)
G03CC Estrogens, combinations with other drugs
G03CC04 Estrone
D00067 Estrone (JAN/USP/INN)
Drug groups [BR:br08330]
Hormonal agent
DG01986 Estrogen
DG00464 Estrone
D00067 Estrone
DG01584 Estrogen receptor agonist
DG00464 Estrone
D00067 Estrone
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00464 Estrone
D00067 Estrone
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
Estrogen receptor
NR3A (ESR)
D00067 Estrone (JAN/USP/INN)
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D00067
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| Other DBs |
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| KCF data |
ATOM 20
1 C1y C 24.0876 -17.2937
2 C1y C 22.9083 -17.9877
3 C1z C 24.0937 -15.9241
4 C1x C 26.4583 -17.3060
5 C1y C 21.7230 -17.3060
6 C1x C 22.8837 -19.3390
7 C1x C 22.8961 -15.2485
8 C5x C 25.2853 -15.2425
9 C1a C 24.0015 -14.4686
10 C1x C 26.4643 -15.9363
11 C8y C 20.5560 -17.9939
12 C1x C 21.7106 -15.9426
13 C1x C 21.7353 -20.0207
14 O5x O 25.2853 -13.9732
15 C8y C 20.5560 -19.3451
16 C8x C 19.3829 -17.3244
17 C8x C 19.3829 -20.0269
18 C8x C 18.2282 -17.9939
19 C8y C 18.2282 -19.3451
20 O1a O 17.0675 -20.0084
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 2
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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