| Entry |
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| Name |
Calcidiol;
25-Hydroxyvitamin D3;
Calcifediol;
Calcifediol anhydrous;
(3S,5Z,7E)-9,10-Seco-5,7,10(19)-cholestatriene-3,25-diol
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| Formula |
C27H44O2
|
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| Exact mass |
400.3341
|
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| Mol weight |
400.6371
|
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| Structure |
|
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| Remark |
|
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| Reaction |
|
|---|
| Pathway |
| map01110 | Biosynthesis of secondary metabolites |
| map04928 | Parathyroid hormone synthesis, secretion and action |
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| Module |
| M00103 | Cholecalciferol biosynthesis |
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| Enzyme |
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| Brite |
Lipids [BR:br08002]
ST Sterol lipids
ST03 Secosteroids
ST0302 Vitamin D3 and derivatives
C01561 Calcidiol
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
A ALIMENTARY TRACT AND METABOLISM
A11 VITAMINS
A11C VITAMIN A AND D, INCL. COMBINATIONS OF THE TWO
A11CC Vitamin D and analogues
A11CC06 Calcifediol
C01561 Calcidiol
H SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
H05 CALCIUM HOMEOSTASIS
H05B ANTI-PARATHYROID AGENTS
H05BX Other anti-parathyroid agents
H05BX05 Calcifediol
C01561 Calcidiol
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| Other DBs |
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| KCF data |
ATOM 29
1 C1x C 18.5086 -16.5349
2 C1y C 18.5086 -17.9020
3 C1x C 19.6953 -18.5854
4 C2y C 20.8752 -17.9020
5 C2y C 20.8752 -16.5349
6 C1x C 19.6953 -15.8514
7 C1x C 22.0690 -14.4500
8 C1x C 22.0690 -15.8169
9 C2y C 23.2557 -16.5004
10 C1x C 23.2557 -13.7665
11 C1z C 24.4354 -14.4500
12 C1y C 24.4297 -15.8169
13 C1x C 26.7973 -15.8270
14 C1x C 26.8032 -14.4600
15 C1y C 25.6224 -13.7716
16 C1c C 25.6281 -12.4046
17 C1b C 26.8052 -11.7230
18 C1b C 27.9858 -12.4065
19 C1b C 29.1664 -11.7298
20 C1d C 30.3470 -12.4132
21 C2b C 22.0768 -18.5538
22 C1a C 24.4234 -13.0830
23 C1a C 24.4452 -11.7193
24 C2b C 23.2256 -17.8489
25 O1a O 17.3251 -18.5859
26 C2a C 20.8677 -15.1611
27 C1a C 31.5798 -11.7035
28 C1a C 30.3456 -13.7923
29 O1a O 31.5537 -13.1100
BOND 31
1 2 3 1
2 15 16 1
3 3 4 1
4 16 17 1
5 7 8 1
6 17 18 1
7 8 9 1
8 18 19 1
9 9 12 1
10 19 20 1
11 9 24 2
12 11 10 1
13 24 21 1
14 10 7 1
15 4 5 1
16 11 22 1 #Up
17 5 6 1
18 16 23 1 #Down
19 6 1 1
20 1 2 1
21 11 12 1
22 13 14 1
23 21 4 2
24 14 15 1
25 15 11 1
26 2 25 1 #Up
27 12 13 1
28 5 26 2
29 20 27 1
30 20 28 1
31 20 29 1
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