KEGG   COMPOUND: C08821Help
Entry
C08821                      Compound                               

Name
Isofucosterol;
Delta5-Avenasterol
Formula
C29H48O
Exact mass
412.3705
Mol weight
412.6908
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00100  Steroid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
1.3.1.21        1.3.1.-
Brite
Lipids [BR:br08002]
 ST  Sterol Lipids
  ST01 Sterols
   ST0104 Stigmasterols and C24-ethyl derivatives
    C08821  Isofucosterol
Phytochemical compounds [BR:br08003]
 Terpenoids
  Steroids
   Stigmastane
    C08821  Isofucosterol
BRITE hierarchy
Other DBs
CAS: 481-14-1
PubChem: 11014
ChEMBL: CHEMBL1836654
LipidBank: SST9070
KNApSAcK: C00003656
3DMET: B02437
NIKKAJI: J12.392G
KCF data Show

ATOM        30
            1   C1y C    25.2709  -22.9992
            2   C1y C    26.4541  -22.3231
            3   C1y C    24.0878  -22.3115
            4   C1x C    25.2709  -24.3688
            5   C1z C    26.4716  -20.9536
            6   C1x C    28.8203  -22.3465
            7   C1z C    22.8989  -22.9876
            8   C1x C    24.0994  -20.9419
            9   C2x C    24.0761  -25.0565
            10  C1y C    27.6664  -20.2892
            11  C1x C    25.2942  -20.2599
            12  C1a C    26.4657  -19.5781
            13  C1x C    28.8379  -20.9826
            14  C2y C    22.8930  -24.3631
            15  C1x C    21.7157  -22.3057
            16  C1a C    22.8872  -21.6121
            17  C1c C    27.6781  -18.9194
            18  C1x C    21.7157  -25.0508
            19  C1x C    20.5209  -22.9876
            20  C1b C    28.8612  -18.2317
            21  C1a C    26.4774  -18.2259
            22  C1y C    20.5209  -24.3631
            23  C1b C    30.0501  -18.9253
            24  O1a O    19.3319  -25.0508
            25  C2c C    31.2333  -18.2433
            26  C1c C    32.4164  -18.9311
            27  C2b C    31.2333  -16.8678
            28  C1a C    32.4164  -20.2949
            29  C1a C    33.6055  -18.2433
            30  C1a C    32.4164  -16.1918
BOND        33
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    5  12 1 #Up
            12    6  13 1
            13    7  14 1
            14    7  15 1
            15    7  16 1 #Up
            16   10  17 1
            17   14  18 1
            18   15  19 1
            19   17  20 1
            20   17  21 1 #Down
            21   18  22 1
            22   20  23 1
            23   22  24 1 #Up
            24   23  25 1
            25   25  26 1
            26   25  27 2
            27   26  28 1
            28   26  29 1
            29   27  30 1
            30    8  11 1
            31    9  14 2
            32   10  13 1
            33   19  22 1

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