KEGG   COMPOUND: C01054Help
Entry
C01054                      Compound                               

Name
(S)-2,3-Epoxysqualene;
Squalene 2,3-epoxide;
Squalene 2,3-oxide;
(S)-Squalene-2,3-epoxide;
2,3-Oxidosqualene;
(3S)-2,3-Epoxy-2,3-dihydrosqualene
Formula
C30H50O
Exact mass
426.3862
Mol weight
426.7174
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00100  Steroid biosynthesis
map00909  Sesquiterpenoid and triterpenoid biosynthesis
map01060  Biosynthesis of plant secondary metabolites
map01062  Biosynthesis of terpenoids and steroids
map01070  Biosynthesis of plant hormones
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
map01130  Biosynthesis of antibiotics
Module
M00101  Cholesterol biosynthesis, squalene 2,3-epoxide => cholesterol
Enzyme
1.14.14.17      4.2.1.124       4.2.1.125       4.2.1.128       
5.4.99.7        5.4.99.8        5.4.99.31       5.4.99.32       
5.4.99.33       5.4.99.34       5.4.99.35       5.4.99.36       
5.4.99.38       5.4.99.39       5.4.99.40       5.4.99.41       
5.4.99.46       5.4.99.47       5.4.99.48       5.4.99.49       
5.4.99.50       5.4.99.51       5.4.99.52       5.4.99.53       
5.4.99.54       5.4.99.55       5.4.99.56       5.4.99.57
Brite
Lipids [BR:br08002]
 PR  Prenol Lipids
  PR01 Isoprenoids
   PR0106 C30 isoprenoids (triterpenes)
    PR010601 Acyclic triterpenoids
     C01054  (S)-2,3-Epoxysqualene
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Liner triterpenes
    C01054  (S)-2,3-Epoxysqualene
BRITE hierarchy
Other DBs
PubChem: 4295
ChEBI: 15441
LIPIDMAPS: LMPR0106010010
KNApSAcK: C00007282
PDB-CCD: 2TX[PDBj]
3DMET: B01371
NIKKAJI: J39.259F
KCF data Show

ATOM        31
            1   C2c C    17.4647  -21.7471
            2   C2b C    18.6797  -21.0456
            3   C1b C    19.8948  -21.7471
            4   C1b C    21.1100  -21.0456
            5   C2c C    22.3250  -21.7471
            6   C2b C    23.5401  -21.0456
            7   C1b C    24.7551  -21.7471
            8   C1b C    25.9701  -21.0456
            9   C2b C    27.1853  -21.7471
            10  C2c C    28.4003  -21.0456
            11  C1b C    29.6154  -21.7471
            12  C1b C    30.8304  -21.0456
            13  C2b C    32.0454  -21.7471
            14  C2c C    33.2605  -21.0456
            15  C1b C    34.4756  -21.7471
            16  C1b C    35.6907  -21.0456
            17  C2b C    36.9058  -21.7471
            18  C2c C    38.1208  -21.0456
            19  C1a C    39.3121  -21.7337
            20  C1a C    38.1209  -19.6430
            21  C1a C    33.2605  -19.6426
            22  C1a C    28.4003  -19.6426
            23  C1a C    22.3250  -23.1500
            24  C1b C    16.2497  -21.0456
            25  C1a C    17.4647  -23.1501
            26  C1b C    15.0516  -21.7375
            27  C1y C    13.8616  -21.0505
            28  C1z C    12.4586  -21.0505
            29  O2x O    13.1601  -19.8355
            30  C1a C    11.4666  -22.0426
            31  C1a C    11.3594  -20.2068
BOND        31
            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   16  17 1
            17   17  18 2
            18   18  19 1
            19   18  20 1
            20   14  21 1
            21   10  22 1
            22    5  23 1
            23    1  24 1
            24    1  25 1
            25   24  26 1
            26   26  27 1
            27   27  28 1
            28   27  29 1 #Up
            29   28  29 1
            30   28  30 1
            31   28  31 1

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