 | | COMPOUND: C12859 | |
| Entry |
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| Name |
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| Formula |
C23H32O3
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| Exact mass |
356.2351
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| Mol weight |
356.4984
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| Structure |
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| Remark |
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| Brite |
Lipids [BR:br08002]
ST Sterol lipids
ST02 Steroids
ST0201 C18 steroids (estrogens) and derivatives
C12859 Estradiol valerate
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
D01413 Estradiol valerate (JAN/USP/INN) <JP/US>
USP drug classification [BR:br08302]
Hormonal Agents, Stimulant/Replacement/Modifying (Sex Hormones/Modifiers)
Estrogens
Estradiol
D01413 Estradiol valerate (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
D01413 Estradiol valerate (JAN/USP/INN)
Drug groups [BR:br08330]
Hormonal agent
DG01986 Estrogen
DG00462 Estradiol
D01413 Estradiol valerate
DG01584 Estrogen receptor agonist
DG00462 Estradiol
D01413 Estradiol valerate
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00462 Estradiol
D01413 Estradiol valerate
Drug classes [BR:br08332]
Endocrine and hormonal agent
DG01986 Estrogen
D01413 Estradiol valerate
DG01584 Estrogen receptor agonist
D01413 Estradiol valerate
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
Estrogen receptor
NR3A (ESR)
D01413 Estradiol valerate (JAN/USP/INN) <JP/US>
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D01413
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| Other DBs |
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| KCF data |
ATOM 26
1 C8x C 24.0362 -17.3788
2 C8y C 24.0362 -18.7804
3 C8x C 25.2499 -19.4811
4 C8y C 26.4635 -18.7804
5 C8y C 26.4635 -17.3788
6 C8x C 25.2499 -16.6782
7 C1x C 27.6773 -19.4811
8 C1x C 28.8911 -18.7804
9 C1y C 28.8911 -17.3788
10 C1y C 27.6773 -16.6782
11 C1y C 30.1049 -16.6782
12 C1z C 30.1049 -15.2765
13 C1x C 28.8911 -14.5758
14 C1x C 27.6773 -15.2765
15 C1x C 31.4378 -17.1112
16 C1x C 32.2616 -15.9774
17 C1y C 31.4378 -14.8434
18 O1a O 22.8225 -19.4811
19 C1a C 30.1049 -13.8750
20 O7a O 31.4378 -13.4419
21 C7a C 32.6649 -12.7332
22 C1b C 33.8793 -13.4339
23 C1b C 35.0589 -12.7526
24 C1b C 36.2563 -13.4438
25 O6a O 32.6645 -11.3518
26 C1a C 37.4824 -12.7358
BOND 29
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 11 15 1
18 15 16 1
19 16 17 1
20 12 17 1
21 2 18 1
22 12 19 1 #Up
23 17 20 1 #Up
24 20 21 1
25 21 25 2
26 24 26 1
27 21 22 1
28 22 23 1
29 23 24 1
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