KEGG   COMPOUND: C08628Help
Entry
C08628                      Compound                               

Name
Lupeol
Formula
C30H50O
Exact mass
426.3862
Mol weight
426.7174
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Sesquiterpenoid and triterpenoid biosynthesis
Biosynthesis of terpenoids and steroids
Biosynthesis of secondary metabolites
Enzyme
Brite
Lipids [BR:br08002]
 PR  Prenol Lipids
  PR01 Isoprenoids
   PR0106 C30 isoprenoids (triterpenes)
    PR010613 Baccharane triterpenoids
     C08628  Lupeol
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Lupanes
    C08628  Lupeol
BRITE hierarchy
Other DBs
CAS: 
545-47-1
PubChem: 
ChEBI: 
ChEMBL: 
LIPIDMAPS: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        31
            1   C1z C    27.2324  -16.3751
            2   C1y C    27.2499  -15.0084
            3   C1z C    26.0519  -17.0496
            4   C1x C    28.4071  -17.0670
            5   C1a C    27.2207  -17.7416
            6   C1y C    28.4420  -14.3455
            7   C1x C    26.0752  -14.3165
            8   C1y C    24.8772  -16.3576
            9   C1x C    26.0519  -18.4162
            10  C1a C    25.4131  -15.6714
            11  C1x C    29.5933  -16.3984
            12  C1z C    29.6282  -15.0376
            13  C1x C    24.8830  -14.9851
            14  C1z C    23.6852  -17.0381
            15  C1x C    24.8657  -19.1023
            16  C1a C    30.7913  -15.7238
            17  C1y C    23.6793  -18.4045
            18  C1x C    22.5047  -16.3576
            19  C1a C    23.6735  -15.6656
            20  C1z C    22.5047  -19.0967
            21  C1x C    21.3125  -17.0381
            22  C1y C    21.3125  -18.4045
            23  C1a C    23.3127  -20.5555
            24  C1a C    21.8010  -20.5571
            25  O1a O    20.1205  -19.0907
            26  C1x C    30.6530  -14.1234
            27  C1x C    30.1002  -12.8662
            28  C1y C    28.7338  -13.0035
            29  C2c C    27.7955  -11.9514
            30  C1a C    26.4158  -12.2377
            31  C2a C    28.2285  -10.6404
BOND        35
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Down
            5     2   6 1
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     3  10 1 #Up
            10    4  11 1
            11    6  12 1
            12    7  13 1
            13    8  14 1
            14    9  15 1
            15   12  16 1 #Up
            16   14  17 1
            17   14  18 1
            18   14  19 1 #Up
            19   17  20 1
            20   18  21 1
            21   20  22 1
            22   20  23 1
            23   20  24 1
            24   22  25 1 #Up
            25    8  13 1
            26   11  12 1
            27   15  17 1
            28   21  22 1
            29   12  26 1
            30   26  27 1
            31   27  28 1
            32    6  28 1
            33   28  29 1 #Down
            34   29  30 1
            35   29  31 2

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