KEGG   COMPOUND: C21119
Entry
C21119                      Compound                               

Name
Bacteriohopanetetrol;
Tetrahydroxybacteriohopane;
Bacteriohopane-32,33,34,35-tetrol
Formula
C35H62O4
Exact mass
546.4648
Mol weight
546.8644
Structure
Reaction
Other DBs
PubChem: 312642088
ChEBI: 132468
ChEMBL: CHEMBL442840
KCF data

ATOM        39
            1   C1y C    13.1745  -16.7531
            2   C1z C    14.4526  -17.4631
            3   C1z C    11.9675  -17.4631
            4   C1x C    13.1745  -15.3331
            5   C1z C    15.6596  -16.7531
            6   C1x C    14.4526  -18.8831
            7   C1a C    14.3815  -16.4691
            8   C1y C    11.9675  -18.8831
            9   C1x C    10.7605  -16.7531
            10  C1a C    11.9675  -16.0430
            11  C1x C    14.4526  -14.6230
            12  C1y C    15.6596  -15.3331
            13  C1x C    16.8666  -17.4631
            14  C1a C    15.6596  -18.1731
            15  C1x C    13.1745  -19.5931
            16  C1z C    10.7605  -19.5931
            17  C1x C     9.5535  -17.4631
            18  C1z C    16.8666  -14.6941
            19  C1x C    18.0736  -16.8241
            20  C1x C     9.5535  -18.8831
            21  C1a C    10.2635  -21.0131
            22  C1a C    11.3995  -21.0131
            23  C1y C    18.0736  -15.4040
            24  C1a C    16.7246  -15.6880
            25  C1y C    19.1387  -14.4810
            26  C1x C    18.5707  -13.2030
            27  C1x C    17.2216  -13.2740
            28  C1c C    20.4167  -15.1910
            29  C1b C    21.6237  -14.4810
            30  C1a C    20.4167  -16.6110
            31  C1b C    22.9017  -15.1910
            32  C1c C    24.0942  -14.4759
            33  C1c C    25.3130  -15.1531
            34  C1c C    26.5483  -14.4129
            35  C1b C    27.7608  -15.0872
            36  O1a O    28.9681  -14.3637
            37  O1a O    24.0712  -13.0900
            38  O1a O    26.5257  -13.0200
            39  O1a O    25.3360  -16.5200
BOND        43
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     2   7 1 #Up
            7     3   8 1
            8     3   9 1
            9     3  10 1 #Up
            10    4  11 1
            11    5  12 1
            12    5  13 1
            13    5  14 1 #Down
            14    6  15 1
            15    8  16 1
            16    9  17 1
            17   12  18 1
            18   13  19 1
            19   16  20 1
            20   16  21 1
            21   16  22 1
            22   18  23 1
            23   18  24 1 #Down
            24    8  15 1
            25   11  12 1
            26   17  20 1
            27   19  23 1
            28   23  25 1
            29   25  26 1
            30   26  27 1
            31   18  27 1
            32   25  28 1
            33   28  29 1
            34   28  30 1 #Up
            35   29  31 1
            36   31  32 1
            37   32  33 1
            38   33  34 1
            39   34  35 1
            40   35  36 1
            41   32  37 1 #Up
            42   34  38 1 #Up
            43   33  39 1 #Down

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