KEGG   COMPOUND: C17148Help
Entry
C17148                      Compound                               

Name
Oleanolic acid;
3beta-Hydroxyolean-12-en-28-oic acid;
Astrantiagenin C;
Caryophyllin;
Oleanolate
Formula
C30H48O3
Exact mass
456.3603
Mol weight
456.7003
Structure
Mol fileKCF fileDB search
Reaction
Enzyme
Brite
Lipids [BR:br08002]
 PR  Prenol Lipids
  PR01 Isoprenoids
   PR0106 C30 isoprenoids (triterpenes)
    PR010615 Oleanane triterpenoids
     C17148  Oleanolic acid
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Oleananes
    C17148  Oleanolic acid
BRITE hierarchy
Other DBs
CAS: 508-02-1
PubChem: 96023600
ChEBI: 37659
ChEMBL: CHEMBL168 CHEMBL180553 CHEMBL365375
KNApSAcK: C00019064
NIKKAJI: J6.235I
LinkDB All DBs
KCF data Show

ATOM        33
            1   C1x C    27.0994  -24.2211
            2   C1y C    27.0994  -25.6281
            3   C1z C    28.3179  -26.3316
            4   C1y C    29.5366  -25.6281
            5   C1z C    29.5366  -24.2211
            6   C1x C    28.3179  -23.5176
            7   C1x C    30.7551  -26.3316
            8   C1x C    31.9736  -25.6281
            9   C1z C    31.9736  -24.2211
            10  C1y C    30.7551  -23.5176
            11  C1z C    33.1921  -23.5176
            12  C2y C    33.1921  -22.1105
            13  C2x C    31.9736  -21.4070
            14  C1x C    30.7551  -22.1105
            15  C1x C    34.4106  -24.2211
            16  C1x C    35.6291  -23.5176
            17  C1z C    35.6291  -22.1105
            18  C1y C    34.4106  -21.4070
            19  C1x C    36.8477  -21.4070
            20  C1x C    36.8477  -20.0000
            21  C1z C    35.6291  -19.2965
            22  C1x C    34.4106  -20.0000
            23  C1a C    34.7856  -18.0779
            24  C1a C    36.3326  -18.0779
            25  C6a C    36.8477  -22.8140
            26  O6a O    37.2118  -24.1731
            27  O6a O    38.0662  -22.1105
            28  C1a C    33.1921  -24.9246
            29  C1a C    31.9736  -23.3040
            30  C1a C    29.5366  -22.8140
            31  O1a O    25.8809  -26.3316
            32  C1a C    27.6144  -27.6901
            33  C1a C    29.2314  -27.6901
BOND        37
            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 1
            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 2
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   17  18 1
            21   12  18 1
            22   17  19 1
            23   19  20 1
            24   20  21 1
            25   21  22 1
            26   18  22 1
            27   21  23 1
            28   21  24 1
            29   17  25 1 #Up
            30   25  26 1
            31   25  27 2
            32   11  28 1 #Down
            33    9  29 1 #Up
            34    5  30 1 #Up
            35    2  31 1 #Up
            36    3  32 1
            37    3  33 1

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