KEGG   COMPOUND: C07711
Entry
C07711                      Compound                               

Name
Previtamin D(3);
Previtamin D3
Formula
C27H44O
Exact mass
384.3392
Mol weight
384.6377
Structure
Brite
Lipids [BR:br08002]
 ST  Sterol lipids
  ST03 Secosteroids
   ST0302 Vitamin D3 and derivatives
    C07711  Previtamin D3
Other DBs
CAS: 1173-13-3
PubChem: 9913
ChEBI: 8403
LIPIDMAPS: LMST03020222
LipidBank: VVD0241
3DMET: B02138
NIKKAJI: J16.363E
KCF data

ATOM        28
            1   C1z C    28.3922  -17.5453
            2   C1y C    28.3864  -18.9025
            3   C1y C    29.5681  -16.8666
            4   C1x C    27.2222  -16.8607
            5   C1a C    28.3687  -16.2463
            6   C2y C    27.2222  -19.5812
            7   C1x C    30.7382  -18.9141
            8   C1x C    30.7440  -17.5568
            9   C1c C    29.5681  -15.5034
            10  C1x C    26.0463  -17.5453
            11  C2b C    27.2222  -20.9442
            12  C2x C    26.0463  -18.9025
            13  C1b C    30.7499  -14.8365
            14  C1a C    28.3981  -14.8365
            15  C2b C    26.0578  -21.6229
            16  C1b C    31.9199  -15.5034
            17  C2y C    24.8761  -20.9502
            18  C1b C    33.1017  -14.8365
            19  C2y C    24.8761  -19.5927
            20  C1x C    23.6651  -21.6520
            21  C1c C    34.2834  -15.5034
            22  C1x C    23.6885  -18.9200
            23  C1a C    24.8818  -18.1243
            24  C1y C    22.5184  -20.9617
            25  C1a C    35.4536  -14.8365
            26  C1a C    34.2834  -16.8666
            27  C1x C    22.5126  -19.5986
            28  O1a O    21.3190  -21.6638
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 1
            11    6  12 2
            12    9  13 1
            13    9  14 1 #Down
            14   11  15 2
            15   13  16 1
            16   15  17 1
            17   16  18 1
            18   17  19 2
            19   17  20 1
            20   18  21 1
            21   19  22 1
            22   19  23 1
            23   20  24 1
            24   21  25 1
            25   21  26 1
            26   22  27 1
            27   24  28 1 #Up
            28    7   8 1
            29   10  12 1
            30   24  27 1

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