KEGG   COMPOUND: C21732
Entry
C21732                      Compound                               
Name
(3S,22S)-2,3:22,23-Diepoxy-2,3,22,23-tetrahydrosqualene;
2,3,22,23-Dioxidosqualene
Formula
C30H50O2
Exact mass
442.3811
Mol weight
442.7168
Structure
Reaction
Enzyme
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0106 C30 isoprenoids (triterpenes)
    PR010601 Acyclic triterpenoids
     C21732  (3S,22S)-2,3:22,23-Diepoxy-2,3,22,23-tetrahydrosqualene
Other DBs
PubChem: 350078309
LIPIDMAPS: LMPR0106010038
KCF data

ATOM        32
            1   C2c C    10.7448  -16.4972
            2   C2b C    11.9598  -15.7957
            3   C1b C    13.1749  -16.4972
            4   C1b C    14.3901  -15.7957
            5   C2c C    15.6051  -16.4972
            6   C2b C    16.8202  -15.7957
            7   C1b C    18.0352  -16.4972
            8   C1b C    19.2502  -15.7957
            9   C2b C    20.4654  -16.4972
            10  C2c C    21.6804  -15.7957
            11  C1b C    22.8955  -16.4972
            12  C1b C    24.1105  -15.7957
            13  C2b C    25.3255  -16.4972
            14  C2c C    26.5406  -15.7957
            15  C1b C    27.7557  -16.4972
            16  C1b C    28.9708  -15.7957
            17  C1a C    26.5406  -14.3927
            18  C1a C    21.6804  -14.3927
            19  C1a C    15.6051  -17.9001
            20  C1b C     9.5298  -15.7957
            21  C1a C    10.7448  -17.9002
            22  C1b C     8.3316  -16.4876
            23  C1y C     7.1416  -15.8006
            24  C1z C     5.7386  -15.8006
            25  O2x O     6.4401  -14.5856
            26  C1a C     4.7466  -16.7927
            27  C1a C     4.6394  -14.9569
            28  C1y C    30.2007  -16.5055
            29  C1z C    31.6007  -16.5055
            30  O2x O    30.9007  -17.7179
            31  C1a C    32.7838  -15.8224
            32  C1a C    32.5906  -17.4954
BOND        33
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 2
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 2
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 2
            14   14  15 1
            15   15  16 1
            16   14  17 1
            17   10  18 1
            18    5  19 1
            19    1  20 1
            20    1  21 1
            21   20  22 1
            22   22  23 1
            23   23  24 1
            24   23  25 1 #Up
            25   24  25 1
            26   24  26 1
            27   24  27 1
            28   16  28 1
            29   28  29 1
            30   29  30 1
            31   28  30 1 #Up
            32   29  31 1
            33   29  32 1

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