KEGG   COMPOUND: C05440
Entry
C05440                      Compound                               

Name
Ergosta-5,7,22,24(28)-tetraen-3beta-ol;
Ergosta-5,7,22,24(24(1))-tetraen-3beta-ol;
5,7,22,24(28)-Ergostatetraenol
Formula
C28H42O
Exact mass
394.3236
Mol weight
394.6325
Structure
Reaction
Pathway
map00100  Steroid biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00102  Ergocalciferol biosynthesis, squalene 2,3-epoxide => ergosterol/ergocalciferol
Enzyme
1.3.1.71        1.14.19.41
Brite
Lipids [BR:br08002]
 ST  Sterol lipids
  ST01 Sterols
   ST0103 Ergosterols and C24-methyl derivatives
    C05440  Ergosta-5,7,22,24(28)-tetraen-3beta-ol
  ST03 Secosteroids
   ST0301 Vitamin D2 and derivatives
    C05440  Ergosta-5,7,22,24(28)-tetraen-3beta-ol
Other DBs
PubChem: 7802
ChEBI: 18249
LIPIDMAPS: LMST01031015
KNApSAcK: C00023764
3DMET: B05023
NIKKAJI: J492.623D
LinkDB
KCF data

ATOM        29
            1   C1c C    27.5888  -18.3243
            2   C2b C    28.7885  -17.6379
            3   C2b C    30.0008  -18.3378
            4   C2c C    31.2130  -17.6379
            5   C1c C    32.4252  -18.3378
            6   C1a C    33.6375  -17.6379
            7   C2a C    31.2130  -16.2381
            8   C1a C    32.4252  -19.7375
            9   C1a C    26.3736  -17.6217
            10  C1y C    26.4004  -21.8394
            11  C2y C    25.1750  -22.5283
            12  C1z C    26.4004  -20.4388
            13  C1y C    23.9685  -21.8203
            14  C2x C    25.1750  -23.9288
            15  C1x C    25.1940  -19.7309
            16  C1a C    26.3967  -19.0344
            17  C1z C    22.7545  -22.5169
            18  C1x C    23.9099  -20.4236
            19  C2x C    23.9571  -24.6252
            20  C2y C    22.7468  -23.9174
            21  C1x C    21.5403  -21.8166
            22  C1a C    22.7468  -21.1163
            23  C1x C    21.5403  -24.6214
            24  C1x C    20.3300  -22.5169
            25  C1y C    20.3300  -23.9174
            26  O1a O    19.1121  -24.6176
            27  C1x C    28.8253  -21.8394
            28  C1x C    28.8253  -20.4388
            29  C1y C    27.6128  -19.7388
BOND        32
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     4   7 2
            7     5   8 1
            8     1   9 1 #Down
            9    10  11 1
            10   10  12 1
            11   11  13 1
            12   11  14 2
            13   12  15 1
            14   12  16 1 #Up
            15   13  17 1
            16   13  18 1
            17   14  19 1
            18   17  20 1
            19   17  21 1
            20   17  22 1 #Up
            21   20  23 1
            22   21  24 1
            23   23  25 1
            24   25  26 1 #Up
            25   15  18 1
            26   19  20 2
            27   24  25 1
            28   10  27 1
            29   27  28 1
            30   28  29 1
            31   12  29 1
            32    1  29 1

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