KEGG   COMPOUND: C18193Help
Entry
C18193                      Compound                               

Name
Vitamin D5;
(5Z,7E)-9,10-Secostigmasta-5,7,10(19)-trien-3beta-ol
Formula
C29H48O
Exact mass
412.3705
Mol weight
412.6908
Structure
Mol fileKCF fileDB search
Brite
Lipids [BR:br08002]
 ST  Sterol Lipids
  ST03 Secosteroids
   ST0304 Vitamin D5 and derivatives
    C18193  Vitamin D5
BRITE hierarchy
Other DBs
CAS: 71761-06-3
PubChem: 96024409
ChEBI: 33279
NIKKAJI: J39.466A
LinkDB All DBs
KCF data Show

ATOM        30
            1   C1x C    24.1293  -21.6203
            2   C1y C    24.1293  -22.9865
            3   C1x C    25.2906  -23.6696
            4   C1x C    26.5203  -22.9865
            5   C2y C    26.5203  -21.6203
            6   C2y C    25.2906  -20.9371
            7   C2b C    25.2906  -19.5709
            8   C2b C    26.5203  -18.8878
            9   C2y C    26.5203  -17.5216
            10  C1y C    27.6816  -16.8384
            11  C1z C    27.6816  -15.4722
            12  C1x C    26.5203  -14.7891
            13  C1x C    25.2906  -15.4722
            14  C1x C    25.2906  -16.8384
            15  C1x C    30.0725  -16.8384
            16  C1x C    30.0725  -15.4722
            17  C1y C    28.9112  -14.7891
            18  C1c C    28.9112  -13.4229
            19  C1b C    30.1408  -12.7397
            20  C1b C    31.3021  -13.4229
            21  C1c C    32.4634  -12.7397
            22  C1c C    33.6930  -13.4229
            23  C1a C    34.8543  -12.7397
            24  C1b C    32.4466  -11.3736
            25  C1a C    33.7098  -14.7890
            26  C1a C    31.2678  -10.7122
            27  C2a C    27.6978  -20.9274
            28  O1a O    22.9434  -23.6648
            29  C1a C    27.7280  -12.7397
            30  C1a C    27.6816  -14.1060
BOND        32
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     6   7 2
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15    9  14 1
            16   10  15 1
            17   15  16 1
            18   16  17 1
            19   11  17 1
            20   17  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   21  24 1 #Up
            27   22  25 1
            28   24  26 1
            29    5  27 2
            30    2  28 1 #Down
            31   18  29 1 #Down
            32   11  30 1 #Up

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