KEGG   COMPOUND: C12044Help
Entry
C12044                      Compound                               

Name
Rifamycin;
Rifamycin SV
Formula
C37H47NO12
Exact mass
697.3098
Mol weight
697.7686
Structure
Mol fileKCF fileDB search
Sequence
0 Ahb  1 Mtn  2 Man  3 Mtd  4 Mtk  5 Mtk  6 Mtk  7 Mtk  8 Mtd
9 Mad  10 Mtn
  Gene
0-3 rifA [UP:O54666]; 4-6 rifB [UP:O52545]; 7 rifC [UP:O52790];
8 rifD [UP:O54591]; 9-10 rifE [UP:O54593]
  Organism
Amycolatopsis mediterranei (Nocardia mediterranei); Amycolatopsis rifamycinica
  Type
PK
Remark
Same as: D02549
Reaction
Pathway
map01051  Biosynthesis of ansamycins
map01130  Biosynthesis of antibiotics
Enzyme
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK05 Ansamycins and related polyketides
   C12044  Rifamycin
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J04 ANTIMYCOBACTERIALS
   J04A DRUGS FOR TREATMENT OF TUBERCULOSIS
    J04AB Antibiotics
     J04AB03 Rifamycin
      D02549  Rifamycin (USAN/INN)
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01A ANTIINFECTIVES
    S01AA Antibiotics
     S01AA16 Rifamycin
      D02549  Rifamycin (USAN/INN)
  S02 OTOLOGICALS
   S02A ANTIINFECTIVES
    S02AA Antiinfectives
     S02AA12 Rifamycin
      D02549  Rifamycin (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 6998-60-3
PubChem: 14199
ChEBI: 29673
ChEMBL: CHEMBL437765
LIPIDMAPS: LMPK05000005
3DMET: B04414
NIKKAJI: J8.871D
KCF data Show

ATOM        50
            1   C1c C    30.3408  -13.6361
            2   C1c C    30.3408  -15.0506
            3   O1a O    32.6984  -14.9833
            4   C1c C    32.6984  -13.6361
            5   C1c C    31.4859  -12.9625
            6   C2b C    34.9886  -13.6361
            7   C1c C    33.8435  -12.9625
            8   C5a C    36.2009  -15.7242
            9   C2c C    37.3461  -15.0506
            10  C2b C    37.3461  -13.6361
            11  C2b C    36.2009  -12.9625
            12  C1a C    33.8435  -11.6153
            13  C1a C    31.4859  -11.6153
            14  O1a O    29.1957  -12.9625
            15  C1a C    38.4912  -15.7242
            16  O5a O    35.0558  -15.0506
            17  N1b N    36.2009  -17.3408
            18  C1c C    29.1957  -15.7242
            19  O7a O    28.0507  -15.0506
            20  C1c C    29.1957  -17.3408
            21  C8y C    35.0558  -18.0144
            22  C8x C    35.0558  -19.3616
            23  C8y C    33.8435  -17.3408
            24  C8y C    32.6984  -18.0144
            25  C8y C    32.6984  -19.3616
            26  C8y C    33.8435  -20.0352
            27  C8y C    31.5532  -17.3408
            28  C8y C    30.3408  -18.0144
            29  C8y C    30.3408  -19.3616
            30  C8y C    31.5532  -20.0352
            31  O1a O    33.8435  -15.9936
            32  O1a O    31.5532  -15.9936
            33  C1a C    29.1957  -13.9729
            34  C7a C    26.8381  -14.3770
            35  C1a C    25.6930  -15.0506
            36  O6a O    26.8381  -13.0298
            37  C1c C    28.0507  -18.0144
            38  O2a O    26.9055  -17.3408
            39  C2b C    28.0507  -19.3616
            40  C1a C    28.0507  -16.3978
            41  C1a C    25.7604  -18.0144
            42  C2b C    26.9055  -20.0352
            43  O2a O    26.9055  -21.3824
            44  O2x O    29.1957  -20.0352
            45  C1z C    29.1957  -21.3824
            46  C5x C    31.5532  -21.3824
            47  C1a C    29.1957  -22.7295
            48  C1a C    30.3408  -16.6672
            49  O1a O    33.8435  -21.3824
            50  O5x O    32.6310  -22.0559
BOND        53
            1     1   2 1
            2     4   3 1 #Down
            3     4   5 1
            4     1   5 1
            5     6   7 1
            6     4   7 1
            7     8   9 1
            8     9  10 2
            9    10  11 1
            10    6  11 2
            11    7  12 1 #Up
            12    5  13 1 #Down
            13    1  14 1 #Down
            14    9  15 1
            15    8  16 2
            16    8  17 1
            17    2  18 1
            18   18  19 1 #Up
            19   18  20 1
            20   17  21 1
            21   21  22 1
            22   21  23 2
            23   23  24 1
            24   24  25 1
            25   25  26 1
            26   24  27 2
            27   27  28 1
            28   28  29 2
            29   29  30 1
            30   25  30 2
            31   23  31 1
            32   27  32 1
            33    2  33 1 #Up
            34   19  34 1
            35   34  35 1
            36   34  36 2
            37   26  22 2
            38   20  37 1
            39   37  38 1 #Down
            40   37  39 1
            41   20  40 1 #Down
            42   38  41 1
            43   39  42 2
            44   42  43 1
            45   29  44 1
            46   44  45 1
            47   43  45 1
            48   30  46 1
            49   45  46 1
            50   45  47 1 #Down
            51   28  48 1
            52   26  49 1
            53   50  46 2

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