KEGG   COMPOUND: C14540Help
Entry
C14540                      Compound                               

Name
Rifamycin S
Formula
C37H45NO12
Exact mass
695.2942
Mol weight
695.7527
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map01051  Biosynthesis of ansamycins
map01130  Biosynthesis of antibiotics
map07023  Rifamycins
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK05 Ansamycins and related polyketides
   C14540  Rifamycin S
BRITE hierarchy
Other DBs
CAS: 13553-79-2
PubChem: 17395540
ChEBI: 34948
ChEMBL: CHEMBL236921
NIKKAJI: J53.948A
KCF data Show

ATOM        50
            1   C5x C    26.7636  -19.5152
            2   C8y C    25.5852  -17.4593
            3   C8y C    25.6493  -18.8265
            4   C2x C    27.9468  -18.8368
            5   C8y C    24.4091  -19.5102
            6   C5x C    24.4105  -20.8799
            7   C8y C    23.2101  -18.8419
            8   C1c C    22.0374  -16.7945
            9   C8y C    23.2136  -17.4848
            10  C8y C    24.4012  -16.8140
            11  C1c C    22.0486  -15.4336
            12  C1c C    23.2360  -14.7629
            13  C1c C    24.4364  -12.7374
            14  C1c C    23.2498  -13.4045
            15  C1c C    25.6021  -13.4285
            16  O1a O    25.5867  -14.7107
            17  C1c C    26.7839  -12.7657
            18  C2b C    27.9434  -13.4551
            19  C2c C    30.3360  -14.8311
            20  C2b C    30.2829  -13.4842
            21  C2b C    29.1215  -12.7963
            22  C5a C    29.0879  -15.4899
            23  C5x C    26.7439  -16.7874
            24  C2y C    27.8951  -17.4782
            25  N1b N    29.1335  -16.8294
            26  O5x O    25.3767  -21.8520
            27  C1c C    20.8532  -17.4735
            28  C2b C    20.8498  -18.8356
            29  C2b C    19.6656  -19.5064
            30  O2a O    19.6562  -20.8647
            31  C1z C    22.0081  -20.8811
            32  O2x O    21.9476  -19.5228
            33  C1a C    21.9995  -22.2447
            34  C1a C    31.4376  -15.5295
            35  O2a O    19.6682  -16.7857
            36  C1a C    18.4855  -17.4654
            37  C1a C    20.7808  -15.8261
            38  C1a C    24.4433  -11.3702
            39  C1a C    26.7995  -11.3986
            40  O7a O    20.8738  -14.7403
            41  O1a O    22.0711  -12.6992
            42  C7a C    19.6809  -14.0552
            43  C1a C    18.5014  -14.7403
            44  O6a O    19.6793  -12.6880
            45  O5x O    26.7542  -15.6302
            46  O1a O    24.4587  -15.4436
            47  C1a C    22.1118  -13.8664
            48  O5x O    26.7577  -20.8826
            49  O5a O    27.9182  -14.7881
            50  C1a C    23.2747  -16.5050
BOND        53
            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 #Down
            20    5   7 2
            21   19  34 1
            22    6   5 1
            23   27  35 1 #Down
            24    2  10 1
            25   35  36 1
            26   15  16 1 #Down
            27    8  37 1 #Down
            28   14  41 1 #Down
            29   18  17 1
            30   13  38 1 #Down
            31   17  15 1
            32   17  39 1 #Up
            33   32   7 1
            34   11  40 1 #Up
            35    7   9 1
            36    8  27 1
            37   40  42 1
            38    2   3 2
            39   42  43 1
            40   22  19 1
            41   42  44 2
            42   19  20 2
            43   23  45 2
            44   20  21 1
            45   10  46 1
            46   21  18 2
            47   12  47 1 #Up
            48    3   1 1
            49    1  48 2
            50    1   4 1
            51   22  49 2
            52    4  24 2
            53    9  50 1

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