KEGG   COMPOUND: C01753Help
Entry
C01753                      Compound                               

Name
beta-Sitosterol;
Sitosterol
Formula
C29H50O
Exact mass
414.3862
Mol weight
414.7067
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Reaction
Pathway
Steroid biosynthesis
Biosynthesis of plant secondary metabolites
Biosynthesis of terpenoids and steroids
Biosynthesis of secondary metabolites
Enzyme
1.3.1.-         1.14.19.41
Brite
Lipids [BR:br08002]
 ST  Sterol Lipids
  ST01 Sterols
   ST0104 Stigmasterols and C24-ethyl derivatives
    C01753  Sitosterol
Phytochemical compounds [BR:br08003]
 Terpenoids
  Steroids
   Stigmastane
    C01753  beta-Sitosterol
BRITE hierarchy
Other DBs
CAS: 
83-46-5
PubChem: 
ChEBI: 
LIPIDMAPS: 
LipidBank: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        30
            1   C1x C    11.6900  -25.0600
            2   C1y C    11.6900  -26.4600
            3   C1x C    12.9024  -27.1600
            4   C2y C    14.1149  -26.4600
            5   C1z C    14.1149  -25.0600
            6   C1x C    12.9024  -24.3600
            7   C2x C    15.3273  -27.1600
            8   C1x C    16.5397  -26.4600
            9   C1y C    16.5397  -25.0600
            10  C1y C    15.3273  -24.3600
            11  C1y C    17.7522  -24.3600
            12  C1z C    17.7522  -22.9600
            13  C1x C    16.5397  -22.2600
            14  C1x C    15.3273  -22.9600
            15  C1x C    20.1770  -24.3600
            16  C1x C    20.1770  -22.9600
            17  C1y C    18.9646  -22.2600
            18  O1a O    10.4776  -27.1600
            19  C1a C    14.1149  -23.6600
            20  C1a C    17.7522  -21.5600
            21  C1c C    18.9646  -20.8600
            22  C1b C    20.1824  -20.1600
            23  C1b C    21.3949  -20.8600
            24  C1c C    22.6073  -20.1600
            25  C1c C    23.8197  -20.8600
            26  C1a C    25.0322  -20.1600
            27  C1b C    22.6073  -18.7600
            28  C1a C    21.3969  -18.0612
            29  C1a C    23.8197  -22.2599
            30  C1a C    17.7569  -20.1612
BOND        33
            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     4   7 2
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21    2  18 1 #Up
            22    5  19 1 #Up
            23   12  20 1 #Up
            24   17  21 1
            25   21  22 1
            26   22  23 1
            27   23  24 1
            28   24  25 1
            29   25  26 1
            30   24  27 1 #Up
            31   27  28 1
            32   25  29 1
            33   21  30 1 #Down

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