| Entry |
|
|---|
| Name |
1-alpha,24(R)-Dihydroxyvitamin D3;
Tacalcitol
|
|---|
| Formula |
C27H44O3
|
|---|
| Exact mass |
416.329
|
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| Mol weight |
416.6365
|
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| Structure |
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| Remark |
|
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| Brite |
Lipids [BR:br08002]
ST Sterol lipids
ST03 Secosteroids
ST0302 Vitamin D3 and derivatives
C12919 1-alpha,24(R)-Dihydroxyvitamin D3
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
D DERMATOLOGICALS
D05 ANTIPSORIATICS
D05A ANTIPSORIATICS FOR TOPICAL USE
D05AX Other antipsoriatics for topical use
D05AX04 Tacalcitol
D08554 Tacalcitol (INN)
Drug groups [BR:br08330]
Gastrointestinal agent
DG01607 Vitamin D derivatives
DG01606 Activated vitamin D3
DG00395 Tacalcitol
D08554 Tacalcitol
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Thyroid hormone like receptors
Vitamin D3 like receptor
NR1I1 (VDR)
D08554 Tacalcitol (INN)
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| Other DBs |
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| KCF data |
ATOM 30
1 C1y C 25.1113 -21.4584
2 C1z C 25.1113 -20.0556
3 C2y C 23.9190 -22.1597
4 C1x C 27.4959 -21.4584
5 C1y C 26.3036 -19.4244
6 C1x C 23.9190 -19.4244
7 C1a C 25.1113 -18.7230
8 C2b C 23.9190 -23.4923
9 C1x C 22.7266 -21.4584
10 C1x C 27.4959 -20.1258
11 C1c C 26.3036 -18.0217
12 C1x C 22.7266 -20.1258
13 C2b C 22.7266 -24.1937
14 C1b C 27.4959 -17.3905
15 C1a C 25.1113 -17.3203
16 C2y C 21.5343 -23.5624
17 C1b C 28.6882 -18.0217
18 C2y C 21.5343 -22.1597
19 C1x C 20.3420 -24.1937
20 C1c C 29.8805 -17.3905
21 C1y C 20.3420 -21.5285
22 C2a C 21.5343 -20.7570
23 C1y C 19.1497 -23.5624
24 C1c C 31.0027 -18.0918
25 C1x C 19.1497 -22.1597
26 O1a O 20.3420 -20.1258
27 C1a C 32.1950 -17.3905
28 C1a C 31.0027 -19.4244
29 O1a O 17.8873 -24.1937
30 O1a O 29.9507 -15.9877
BOND 32
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 2 7 1 #Up
7 3 8 2
8 3 9 1
9 4 10 1
10 5 11 1
11 6 12 1
12 8 13 1
13 11 14 1
14 11 15 1 #Down
15 13 16 2
16 14 17 1
17 16 18 1
18 16 19 1
19 17 20 1
20 18 21 1
21 18 22 2
22 19 23 1
23 20 24 1
24 21 25 1
25 21 26 1 #Down
26 24 27 1
27 24 28 1
28 5 10 1
29 9 12 1
30 23 25 1
31 23 29 1 #Up
32 20 30 1 #Up
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