KEGG   COMPOUND: C01164Help
Entry
C01164                      Compound                               

Name
7-Dehydrocholesterol;
Provitamin D3;
Cholesta-5,7-dien-3beta-ol
Formula
C27H44O
Exact mass
384.3392
Mol weight
384.6377
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Steroid biosynthesis
Insect hormone biosynthesis
Metabolic pathways
Module
M00101  
Cholesterol biosynthesis, squalene 2,3-epoxide => cholesterol
M00103  
Cholecalciferol biosynthesis
Enzyme
1.3.1.21        1.3.1.72        1.14.21.6
Brite
Compounds with biological roles [BR:br08001]
 Steroids
  27-Carbon atoms
   Cholestane derivatives
    C01164  7-Dehydrocholesterol
Lipids [BR:br08002]
 ST  Sterol Lipids
  ST03 Secosteroids
   ST0302 Vitamin D3 and derivatives
    C01164  Provitamin D3
BRITE hierarchy
Other DBs
CAS: 
434-16-2
PubChem: 
ChEBI: 
LIPIDMAPS: 
LipidBank: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        28
            1   C1y C    28.8987  -18.0080
            2   C2y C    27.6962  -18.7084
            3   C1z C    28.9044  -16.6188
            4   C1x C    31.3150  -18.0138
            5   C1y C    26.4997  -18.0197
            6   C2x C    27.7488  -20.1326
            7   C1y C    30.1127  -15.9184
            8   C1x C    27.6905  -15.9243
            9   C1a C    28.8987  -15.2530
            10  C1x C    31.3150  -16.6305
            11  C1z C    25.3031  -18.7201
            12  C1x C    26.5580  -16.6305
            13  C2x C    26.5056  -20.7747
            14  C1c C    30.1069  -14.5526
            15  C2y C    25.3031  -20.0917
            16  C1x C    24.1066  -18.0371
            17  C1a C    25.2915  -17.3543
            18  C1b C    31.2801  -13.8756
            19  C1a C    28.9220  -13.8815
            20  C1x C    24.1066  -20.7804
            21  C1x C    22.9393  -18.7201
            22  C1b C    32.4590  -14.5409
            23  C1y C    22.9393  -20.0917
            24  C1b C    33.6322  -13.8639
            25  O1a O    21.7486  -20.7630
            26  C1c C    34.8113  -14.5352
            27  C1a C    35.9845  -13.8522
            28  C1a C    34.8171  -15.8951
BOND        31
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     3   9 1 #Up
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14   11  15 1
            15   11  16 1
            16   11  17 1 #Up
            17   14  18 1
            18   14  19 1 #Down
            19   15  20 1
            20   16  21 1
            21   18  22 1
            22   20  23 1
            23   22  24 1
            24   23  25 1 #Up
            25   24  26 1
            26   26  27 1
            27   26  28 1
            28    7  10 1
            29    8  12 1
            30   13  15 2
            31   21  23 1

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