KEGG   COMPOUND: C14724
Entry
C14724                      Compound                               

Name
Demethyl-desacetyl-rifamycin S
Formula
C34H41NO11
Exact mass
639.268
Mol weight
639.6894
Structure
Reaction
Pathway
map01051  Biosynthesis of ansamycins
map01110  Biosynthesis of secondary metabolites
Other DBs
PubChem: 17395723
ChEBI: 34669
NIKKAJI: J2.788.868B
LinkDB
KCF data

ATOM        46
            1   C5x C    26.8463  -18.5164
            2   C8y C    25.6777  -16.4777
            3   C8y C    25.6719  -17.8335
            4   C2x C    28.0196  -17.8436
            5   C8y C    24.5115  -18.5114
            6   C5x C    24.5129  -19.8696
            7   C8y C    23.3226  -17.8487
            8   C1c C    22.1597  -15.8185
            9   C8y C    23.3260  -16.5030
            10  C8y C    24.5036  -15.8378
            11  C1c C    22.1708  -14.4689
            12  C1c C    23.3482  -13.8039
            13  C1c C    24.5386  -11.7954
            14  C1c C    23.3619  -12.4569
            15  C1c C    25.6945  -12.4807
            16  O1a O    25.6792  -13.7516
            17  C1c C    26.8664  -11.8235
            18  C2b C    28.0162  -12.5071
            19  C2c C    30.3193  -13.8716
            20  C2b C    30.3361  -12.5359
            21  C2b C    29.1844  -11.8538
            22  C5a C    29.1510  -14.5248
            23  C5x C    26.8267  -15.8114
            24  C2y C    27.9683  -16.4964
            25  N1b N    29.1269  -15.8531
            26  O5x O    25.4710  -20.8336
            27  C1c C    20.9854  -16.4918
            28  C2b C    20.9820  -17.8424
            29  C2b C    19.8078  -18.5076
            30  O2a O    19.7985  -19.8545
            31  C1z C    22.1307  -19.8708
            32  O2x O    22.1400  -18.5238
            33  C1a C    22.1221  -21.2229
            34  C1a C    31.4810  -14.5641
            35  O1a O    19.8104  -15.8097
            36  C1a C    20.9830  -14.8577
            37  C1a C    24.5454  -10.4397
            38  C1a C    26.8818  -10.4678
            39  O1a O    21.0059  -13.7814
            40  O1a O    22.1931  -11.7575
            41  O5x O    26.8369  -14.4557
            42  O1a O    24.4913  -14.4789
            43  C1a C    22.1641  -12.7754
            44  O5x O    26.9104  -19.8723
            45  O5a O    27.9911  -13.8289
            46  C1a C    22.6904  -15.2549
BOND        49
            1     9  10 2
            2    23  24 1
            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
            24    2  10 1
            25   15  16 1
            26    8  36 1
            27   14  40 1
            28   18  17 1
            29   13  37 1
            30   17  15 1
            31   17  38 1
            32   32   7 1
            33   11  39 1
            34    7   9 1
            35    8  27 1
            36    2   3 2
            37   22  19 1
            38   19  20 2
            39   23  41 2
            40   20  21 1
            41   10  42 1
            42   21  18 2
            43   12  43 1
            44    3   1 1
            45    1  44 2
            46    1   4 1
            47   22  45 2
            48    4  24 2
            49    9  46 1

» Japanese version

DBGET integrated database retrieval system