| Entry |
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| Name |
Estriol;
1,3,5(10)-Estratriene-3,16-alpha,17beta-triol
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| Formula |
C18H24O3
|
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| Exact mass |
288.1725
|
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| Mol weight |
288.3814
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| Structure |
     |
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| Remark |
|
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| Comment |
Estrogen
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| Reaction |
|
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| Pathway |
| Steroid hormone biosynthesis | | Metabolic pathways | | Progesterone, androgen and estrogen receptor agonists/antagonists |
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| Enzyme |
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| Brite |
Compounds with biological roles [BR:br08001]
Steroids
18-Carbon atoms
Estrane and derivatives
C05141 Estriol
Hormones and transmitters
Steroid hormones
Estrogens
C05141 Estriol
Lipids [BR:br08002]
ST Sterol Lipids
ST02 Steroids
ST0201 C18 steroids (estrogens) and derivatives
C05141 Estriol
 |
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| Other DBs |
CAS: 50-27-1 PubChem: ChEBI: LIPIDMAPS: LipidBank: PDB-CCD: 3DMET: NIKKAJI: |
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| KCF data |
ATOM 21
1 C1y C 23.5304 -17.3600
2 C1y C 22.3397 -18.0510
3 C1z C 23.5304 -15.9842
4 C1x C 25.9056 -17.3661
5 C1y C 21.1551 -17.3723
6 C1x C 22.3460 -19.4205
7 C1y C 24.7273 -15.2932
8 C1x C 22.3336 -15.3055
9 C1a C 23.4255 -14.5838
10 C1y C 25.9119 -15.9904
11 C8y C 19.9768 -18.0572
12 C1x C 21.1675 -15.9287
13 C1x C 21.1614 -20.0992
14 O1a O 24.7273 -13.9544
15 O1a O 27.0779 -15.3241
16 C8y C 19.9768 -19.4145
17 C8x C 18.7985 -17.3908
18 C8x C 18.7985 -20.1054
19 C8x C 17.6386 -18.0572
20 C8y C 17.6386 -19.4145
21 O1a O 16.4726 -20.0807
BOND 24
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 7 14 1 #Up
14 10 15 1 #Down
15 11 16 2
16 11 17 1
17 16 18 1
18 17 19 2
19 18 20 2
20 20 21 1
21 7 10 1
22 8 12 1
23 13 16 1
24 19 20 1
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