| Entry |
|
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| Name |
Vitamin D3;
Cholecalciferol;
Calciol
|
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| Formula |
C27H44O
|
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| Exact mass |
384.3392
|
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| Mol weight |
384.6377
|
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| Structure |
     |
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| Remark |
|
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| Reaction |
|
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| Pathway |
| Steroid biosynthesis | | Metabolic pathways | | Vitamin digestion and absorption | | Rheumatoid arthritis |
|
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| Enzyme |
|
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| Brite |
Compounds with biological roles [BR:br08001]
Cofactors
Vitamins
Fat-soluble vitamins
C05443 Cholecalciferol (Vitamin D3)
Lipids [BR:br08002]
ST Sterol Lipids
ST03 Secosteroids
ST0302 Vitamin D3 and derivatives
C05443 Vitamin D3
 |
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| Other DBs |
CAS: 67-97-0 PubChem: ChEBI: LIPIDMAPS: LipidBank: KNApSAcK: 3DMET: NIKKAJI: |
|---|
| KCF data |
ATOM 28
1 C1z C 26.6024 -20.0553
2 C1y C 26.5965 -21.4109
3 C1y C 27.7842 -19.3832
4 C1x C 25.4321 -19.3775
5 C1a C 26.5909 -18.6939
6 C2y C 25.4321 -22.0887
7 C1x C 28.9545 -21.4224
8 C1x C 28.9603 -20.0668
9 C1c C 27.7842 -17.9928
10 C1x C 24.2503 -20.0553
11 C2b C 25.4380 -23.4502
12 C1x C 24.2503 -21.4109
13 C1b C 28.9430 -17.3267
14 C1a C 26.5850 -17.3498
15 C2b C 24.2561 -24.1338
16 C1b C 30.1247 -17.9987
17 C1b C 31.2951 -17.3092
18 C1c C 32.4768 -17.9755
19 C1a C 33.6472 -17.2860
20 C1a C 32.4884 -19.3369
21 C2y C 24.2561 -25.5338
22 C1x C 23.0626 -26.2234
23 C1y C 23.0631 -27.6234
24 C1x C 24.2757 -28.3230
25 C1x C 25.4692 -27.6334
26 C2y C 25.4688 -26.2334
27 C2a C 26.6812 -25.5334
28 O1a O 21.8506 -28.3234
BOND 30
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1 #Up
5 2 6 1
6 2 7 1
7 3 8 1
8 3 9 1
9 4 10 1
10 6 11 2
11 6 12 1
12 9 13 1
13 9 14 1 #Down
14 11 15 1
15 13 16 1
16 16 17 1
17 17 18 1
18 18 19 1
19 18 20 1
20 7 8 1
21 10 12 1
22 15 21 2
23 21 22 1
24 22 23 1
25 23 24 1
26 24 25 1
27 25 26 1
28 21 26 1
29 26 27 2
30 23 28 1 #Down
|
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