KEGG   COMPOUND: C08616Help
Entry
C08616                      Compound                               

Name
beta-Amyrin;
beta-Amyrenol
Formula
C30H50O
Exact mass
426.3862
Mol weight
426.7174
Structure
Mol fileKCF fileDB search
Comment
alpha-Amyrin [CPD:C08615]
Reaction
Pathway
map00909  Sesquiterpenoid and triterpenoid biosynthesis
map01062  Biosynthesis of terpenoids and steroids
map01110  Biosynthesis of secondary metabolites
Enzyme
1.14.14.63      1.14.14.64      1.14.14.126     1.14.14.134     
1.14.14.152     5.4.99.39
Brite
Lipids [BR:br08002]
 PR  Prenol Lipids
  PR01 Isoprenoids
   PR0106 C30 isoprenoids (triterpenes)
    PR010614 Lupane triterpenoids
     C08616  beta-Amyrin
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Oleananes
    C08616  beta-Amyrin
BRITE hierarchy
Other DBs
CAS: 559-70-6
PubChem: 10809
ChEBI: 10352
ChEMBL: CHEMBL455098
LIPIDMAPS: LMPR0106150015
LipidBank: SST0136 SST9145
KNApSAcK: C00003738
3DMET: B02270
NIKKAJI: J6.490D
KCF data Show

ATOM        31
            1   C1z C    29.4642  -18.2238
            2   C1z C    30.7481  -17.5293
            3   C1y C    28.2560  -17.5117
            4   C1x C    29.4642  -19.6246
            5   C1a C    28.8925  -16.8173
            6   C2y C    30.6957  -16.1343
            7   C1x C    31.8805  -18.2414
            8   C1a C    30.6664  -18.9242
            9   C1z C    27.0479  -18.2121
            10  C1x C    28.2677  -16.1110
            11  C1x C    28.2443  -20.3192
            12  C1y C    31.9154  -15.4515
            13  C2x C    29.4875  -15.4282
            14  C1x C    33.1001  -17.5584
            15  C1y C    27.0419  -19.6129
            16  C1x C    25.8338  -17.5060
            17  C1a C    27.0303  -16.8056
            18  C1z C    33.1118  -16.1636
            19  C1x C    31.9330  -14.0567
            20  C1z C    25.8338  -20.3133
            21  C1x C    24.6141  -18.2121
            22  C1x C    34.4017  -15.4866
            23  C1a C    34.3200  -16.8640
            24  C1z C    33.1528  -13.3737
            25  C1y C    24.6141  -19.6129
            26  C1a C    26.3240  -21.8073
            27  C1a C    25.1160  -21.5273
            28  C1x C    34.3493  -14.0916
            29  C1a C    32.4348  -12.1539
            30  C1a C    33.8356  -12.1539
            31  O1a O    23.3943  -20.3075
BOND        35
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     2   8 1 #Down
            8     3   9 1
            9     3  10 1
            10    4  11 1
            11    6  12 1
            12    6  13 2
            13    7  14 1
            14    9  15 1
            15    9  16 1
            16    9  17 1 #Up
            17   12  18 1
            18   12  19 1
            19   15  20 1
            20   16  21 1
            21   18  22 1
            22   18  23 1 #Up
            23   19  24 1
            24   20  25 1
            25   20  26 1
            26   20  27 1
            27   22  28 1
            28   24  29 1
            29   24  30 1
            30   25  31 1 #Up
            31   10  13 1
            32   11  15 1
            33   14  18 1
            34   21  25 1
            35   24  28 1

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