KEGG   COMPOUND: C01694Help
Entry
C01694                      Compound                               

Name
Ergosterol;
Provitamin D2
Formula
C28H44O
Exact mass
396.3392
Mol weight
396.6484
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Steroid biosynthesis
Metabolic pathways
Biosynthesis of antibiotics
Module
M00102  
Ergocalciferol biosynthesis
Enzyme
1.3.1.71        4.2.1.62
Brite
Compounds with biological roles [BR:br08001]
 Steroids
  28-Carbon atoms
   Ergostane derivatives
    C01694  Ergosterol
Lipids [BR:br08002]
 ST  Sterol Lipids
  ST01 Sterols
   ST0103 Ergosterols and C24-methyl derivatives
    C01694  Ergosterol
  ST03 Secosteroids
   ST0301 Vitamin D2 and derivatives
    C01694  Ergosterol
Major components of natural products [BR:br08323]
 Crude drugs
  Polyporus sclerotium
   C01694  Ergosterol
BRITE hierarchy
Other DBs
CAS: 
57-87-4
PubChem: 
ChEBI: 
LIPIDMAPS: 
LipidBank: 
KNApSAcK: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        29
            1   C1y C    22.1090  -17.6018
            2   C2y C    20.9277  -18.2860
            3   C1z C    22.1090  -16.2391
            4   C1x C    24.4659  -17.6018
            5   C1y C    19.7463  -17.6018
            6   C2x C    20.9160  -19.6487
            7   C1y C    23.2962  -15.5607
            8   C1x C    20.9277  -15.5607
            9   C1a C    22.1032  -14.8766
            10  C1x C    24.4659  -16.2391
            11  C1z C    18.5591  -18.2860
            12  C1x C    19.7463  -16.2391
            13  C2x C    19.7463  -20.3269
            14  C1c C    23.2962  -14.1982
            15  C2y C    18.5591  -19.6487
            16  C1x C    17.3720  -17.6018
            17  C1a C    18.5474  -16.9234
            18  C2b C    24.5010  -13.4964
            19  C1a C    22.0915  -13.4964
            20  C1x C    17.3720  -20.3269
            21  C1x C    16.1907  -18.2860
            22  C2b C    25.7056  -14.1982
            23  C1y C    16.1907  -19.6487
            24  C1c C    26.9162  -13.5021
            25  O1a O    15.0093  -20.3269
            26  C1c C    28.1209  -14.2039
            27  C1a C    26.9221  -12.1628
            28  C1a C    29.3257  -13.5021
            29  C1a C    28.1209  -15.7358
BOND        32
            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 2
            22   20  23 1
            23   22  24 1
            24   23  25 1 #Up
            25   24  26 1
            26   24  27 1 #Down
            27   26  28 1
            28   26  29 1
            29    7  10 1
            30    8  12 1
            31   13  15 2
            32   21  23 1

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