KEGG   COMPOUND: C01753
Entry
C01753                      Compound                               

Name
beta-Sitosterol;
Sitosterol
Formula
C29H50O
Exact mass
414.3862
Mol weight
414.7067
Structure
Remark
Same as: D08518
Reaction
Pathway
map00100  Steroid biosynthesis
map01060  Biosynthesis of plant secondary metabolites
map01062  Biosynthesis of terpenoids and steroids
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00917  Phytosterol biosynthesis, squalene 2,3-epoxide => campesterol/sitosterol
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
Other DBs
CAS: 83-46-5
PubChem: 4886
ChEBI: 27693
ChEMBL: CHEMBL1875388 CHEMBL221542
LIPIDMAPS: LMST01040129
LipidBank: SST0017
KNApSAcK: C00003672 C00023770
3DMET: B01493
NIKKAJI: J4.633G
KCF data

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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