KEGG   COMPOUND: C14727Help
Entry
C14727                      Compound                               

Name
27-O-Demethylrifamycin SV
Formula
C36H45NO12
Exact mass
683.2942
Mol weight
683.742
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map01051  Biosynthesis of ansamycins
map01130  Biosynthesis of antibiotics
Enzyme
Other DBs
PubChem: 17395726
ChEBI: 34311
NIKKAJI: J1.892.199E
KCF data Show

ATOM        49
            1   C8y C    27.4405  -18.4853
            2   C8y C    26.2377  -16.4322
            3   C8y C    26.2369  -17.7772
            4   C8x C    28.5740  -17.7772
            5   C8y C    25.1042  -18.4853
            6   C5x C    25.1042  -19.8303
            7   C8y C    23.9007  -17.7772
            8   C1c C    22.7679  -15.7949
            9   C8y C    23.9007  -16.4322
            10  C8y C    25.1042  -15.7949
            11  C1c C    22.7679  -14.3790
            12  C1c C    23.9715  -13.7418
            13  C1c C    25.1042  -11.7595
            14  C1c C    23.9715  -12.3966
            15  C1c C    26.3077  -12.3966
            16  O1a O    26.3077  -13.6718
            17  C1c C    27.4405  -11.7595
            18  C2b C    28.6440  -12.4674
            19  C2c C    30.9097  -13.8126
            20  C2b C    30.9097  -12.4674
            21  C2b C    29.7769  -11.8303
            22  C5a C    29.7769  -14.4499
            23  C8y C    27.4405  -15.7241
            24  C8y C    28.5732  -16.4322
            25  N1b N    29.7760  -15.7949
            26  O5x O    26.0954  -20.7507
            27  C1c C    21.5644  -16.4322
            28  C2b C    21.5644  -17.7772
            29  C2b C    20.3616  -18.4853
            30  O2a O    20.3608  -19.8303
            31  C1z C    22.6971  -19.8303
            32  O2x O    22.6979  -18.4853
            33  C1a C    22.6971  -21.1755
            34  C1a C    32.1132  -14.5206
            35  O1a O    20.4316  -15.7241
            36  C1a C    21.6344  -14.8076
            37  C1a C    25.1750  -10.4143
            38  C1a C    27.5113  -10.4143
            39  O1a O    22.7679  -11.6887
            40  O1a O    27.4405  -14.5890
            41  O1a O    25.1042  -14.5199
            42  C1a C    22.7679  -12.8248
            43  O1a O    27.4405  -19.8303
            44  O5a O    28.5732  -13.7418
            45  C1a C    23.3430  -15.0870
            46  O7a O    21.5644  -13.7418
            47  C7a C    20.3608  -13.0339
            48  C1a C    19.1573  -13.7418
            49  O6a O    20.3608  -11.6179
BOND        52
            1     9  10 2
            2    23  24 2
            3    24  25 1
            4    25  22 1
            5    12  11 1
            6     6  26 2
            7    11   8 1
            8    28  27 1
            9    23   2 1
            10    5   3 1
            11   15  13 1
            12   13  14 1
            13   28  29 2
            14   29  30 1
            15   31  32 1
            16   30  31 1
            17   31   6 1
            18   14  12 1
            19   31  33 1
            20    5   7 2
            21   19  34 1
            22    6   5 1
            23   27  35 1 #Down
            24    2  10 1
            25   15  16 1 #Down
            26    8  36 1 #Down
            27   14  39 1 #Down
            28   18  17 1
            29   13  37 1 #Down
            30   17  15 1
            31   17  38 1 #Up
            32   32   7 1
            33    7   9 1
            34    8  27 1
            35    2   3 2
            36   22  19 1
            37   19  20 2
            38   23  40 1
            39   20  21 1
            40   10  41 1
            41   21  18 2
            42   12  42 1 #Up
            43    3   1 1
            44    1  43 1
            45    1   4 2
            46   22  44 2
            47    4  24 1
            48    9  45 1
            49   11  46 1 #Up
            50   46  47 1
            51   47  48 1
            52   47  49 2

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