KEGG   COMPOUND: C12662Help
Entry
C12662                      Compound                               

Name
Josamycin;
Leucomycin A3
Formula
C42H69NO15
Exact mass
827.4667
Mol weight
827.995
Structure
Mol fileKCF fileDB search
Remark
Same as: D01235
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01F MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
    J01FA Macrolides
     J01FA07 Josamycin
      D01235  Josamycin (JP17/USAN/INN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  61  Antibiotics
   614  Acting mainly on gram-positive bacteria and mycoplasma
    6145  Josamycins
     D01235  Josamycin (JP17/USAN/INN)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01235  Josamycin
  D01235  Josamycin tablets
Antiinfectives [br08350.html]
 Antibacterials
  D01235
Prodrugs [br08324.html]
 D01235
BRITE hierarchy
Other DBs
CAS: 16846-24-5
PubChem: 583052
ChEBI: 31739
ChEMBL: CHEMBL224436 CHEMBL329011
KNApSAcK: C00018736
NIKKAJI: J979B
LinkDB All DBs
KCF data Show

ATOM        58
            1   C1y C    28.8525  -21.3205
            2   C1y C    29.9591  -21.9679
            3   O2a O    27.7503  -21.9679
            4   C1y C    28.8525  -20.0492
            5   C1y C    31.0779  -21.3205
            6   N1c N    29.9591  -23.2460
            7   C1y C    26.6494  -22.6041
            8   O2x O    29.9591  -19.4130
            9   C1a C    27.7561  -19.4130
            10  C1y C    31.0779  -20.0492
            11  O1a O    32.1857  -21.9679
            12  C1a C    31.0666  -23.8811
            13  C1a C    28.8582  -23.8811
            14  C1x C    26.6494  -23.8754
            15  O2x O    25.5305  -21.9679
            16  O2a O    33.3097  -17.2385
            17  C1z C    25.5305  -24.5227
            18  C1y C    24.4239  -22.6041
            19  C1y C    29.8973  -13.5819
            20  C1y C    24.4239  -23.8754
            21  C1a C    24.6677  -25.7434
            22  O1a O    26.4284  -25.9025
            23  C1a C    23.3276  -21.9679
            24  C1y C    29.8918  -12.2701
            25  C1y C    28.8372  -14.2465
            26  O7a O    23.3276  -24.5227
            27  C1x C    28.7503  -11.6283
            28  C1b C    30.9870  -11.6226
            29  C1y C    28.8429  -15.6264
            30  O2a O    27.7238  -13.6158
            31  C1y C    28.7503  -10.3402
            32  C4a C    32.1003  -12.2533
            33  C1x C    27.6314  -16.2170
            34  C1y C    27.6256   -9.7040
            35  C1a C    29.8512   -9.6984
            36  O4a O    33.2012  -11.6057
            37  C7x C    26.4727  -15.5752
            38  C2x C    26.5247  -10.3402
            39  O1a O    27.6256   -8.4335
            40  O7x O    25.3155  -16.2115
            41  O6a O    26.4727  -14.2972
            42  C2x C    26.5247  -11.6283
            43  C1y C    24.1740  -15.5176
            44  C2x C    25.3945  -12.2701
            45  C1x C    24.1572  -14.1662
            46  C1a C    23.0494  -16.1312
            47  C2x C    25.3775  -13.5650
            48  C1a C    27.7134  -12.3437
            49  C7a C    22.2251  -23.8973
            50  C1b C    21.1286  -24.5447
            51  O6a O    22.2824  -22.6312
            52  C1c C    20.0262  -23.9260
            53  C1a C    18.9391  -24.5714
            54  C1a C    20.0107  -22.6621
            55  O7a O    29.9347  -16.2960
            56  C7a C    29.9359  -17.6450
            57  O6a O    31.1047  -18.3184
            58  C1a C    28.7683  -18.3204
BOND        60
            1    10  16 1 #Up
            2    14  17 1
            3    15  18 1
            4    19  16 1 #Down
            5    17  20 1
            6    17  21 1 #Down
            7    17  22 1 #Up
            8    18  23 1 #Down
            9    19  24 1
            10   19  25 1
            11   20  26 1 #Up
            12   24  27 1
            13   24  28 1 #Down
            14   25  29 1
            15   25  30 1 #Down
            16   27  31 1
            17   28  32 1
            18   29  33 1
            19   31  34 1
            20   31  35 1 #Down
            21   32  36 2
            22   33  37 1
            23   34  38 1
            24   34  39 1 #Down
            25   37  40 1
            26   37  41 2
            27   38  42 2
            28   40  43 1
            29   42  44 1
            30   43  45 1
            31   43  46 1 #Down
            32   44  47 2
            33    8  10 1
            34   18  20 1
            35   45  47 1
            36   30  48 1
            37    1   2 1
            38   26  49 1
            39    1   3 1 #Down
            40   49  50 1
            41    1   4 1
            42   49  51 2
            43    2   5 1
            44   50  52 1
            45    2   6 1 #Up
            46    7   3 1 #Up
            47    4   8 1
            48    4   9 1 #Up
            49    5  10 1
            50    5  11 1 #Down
            51   52  53 1
            52    6  12 1
            53   52  54 1
            54   29  55 1 #Down
            55    6  13 1
            56   55  56 1
            57    7  14 1
            58   56  57 2
            59    7  15 1
            60   56  58 1

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