KEGG   COMPOUND: C08988Help
Entry
C08988                      Compound                               

Name
Ursolic acid
Formula
C30H48O3
Exact mass
456.3603
Mol weight
456.7003
Structure
Mol fileKCF fileDB search
Brite
Lipids [BR:br08002]
 PR  Prenol Lipids
  PR01 Isoprenoids
   PR0106 C30 isoprenoids (triterpenes)
    PR010618 Taraxastane, ursane and bauerane triterpenoids
     C08988  Ursolic acid
Phytochemical compounds [BR:br08003]
 Terpenoids
  Triterpenoids (C30)
   Ursanes
    C08988  Ursolic acid
BRITE hierarchy
Other DBs
CAS: 77-52-1
PubChem: 11180
ChEBI: 9908
ChEMBL: CHEMBL169 CHEMBL176234 CHEMBL297810 CHEMBL56048
LIPIDMAPS: LMPR0106180007
KNApSAcK: C00003558
PDB-CCD: 6Q5[PDBj]
3DMET: B02589
NIKKAJI: J4.206D
LinkDB All DBs
KCF data Show

ATOM        33
            1   C1z C    26.3577  -18.0429
            2   C1y C    25.2252  -17.3307
            3   C1x C    26.4101  -19.4321
            4   C1x C    27.6417  -17.3658
            5   C6a C    27.6301  -18.7433
            6   C2y C    24.0111  -18.0080
            7   C1y C    25.1785  -15.9358
            8   C1x C    25.1961  -20.1209
            9   C1x C    27.6651  -15.9708
            10  O6a O    27.6301  -20.1442
            11  O6a O    28.8500  -18.0371
            12  C1z C    23.9935  -19.4030
            13  C2x C    22.8029  -17.3016
            14  C1y C    26.4627  -15.2529
            15  C1a C    24.0403  -15.2119
            16  C1z C    22.7795  -20.1035
            17  C1a C    23.9761  -20.8039
            18  C1x C    21.5829  -17.9904
            19  C1a C    26.4861  -13.8461
            20  C1y C    21.5712  -19.3913
            21  C1x C    22.7795  -21.5044
            22  C1a C    23.3978  -18.6909
            23  C1z C    20.3513  -20.0918
            24  C1x C    21.5595  -22.1989
            25  C1y C    20.3455  -21.4927
            26  C1x C    19.1489  -19.3854
            27  C1a C    20.3396  -18.6851
            28  C1z C    19.1489  -22.1931
            29  C1x C    17.9290  -20.0918
            30  C1y C    17.9290  -21.4927
            31  C1a C    18.4836  -23.7573
            32  C1a C    19.7791  -23.6873
            33  O1a O    16.7090  -22.1931
BOND        37
            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     3   8 1
            8     4   9 1
            9     5  10 2
            10    5  11 1
            11    6  12 1
            12    6  13 2
            13    7  14 1
            14    7  15 1 #Up
            15   12  16 1
            16   12  17 1 #Down
            17   13  18 1
            18   14  19 1 #Down
            19   16  20 1
            20   16  21 1
            21   16  22 1 #Up
            22   20  23 1
            23   21  24 1
            24   23  25 1
            25   23  26 1
            26   23  27 1 #Up
            27   25  28 1
            28   26  29 1
            29   28  30 1
            30   28  31 1
            31   28  32 1
            32   30  33 1 #Up
            33    8  12 1
            34    9  14 1
            35   18  20 1
            36   24  25 1
            37   29  30 1

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