KEGG   COMPOUND: C12753Help
Entry
C12753                      Compound                               

Name
Troleandomycin;
Triacetyloleandomycin
Formula
C41H67NO15
Exact mass
813.4511
Mol weight
813.9684
Structure
Mol fileKCF fileDB search
Remark
Same as: D01322
Brite
Lipids [BR:br08002]
 PK  Polyketides
  PK04 Macrolides and lactone polyketides
   C12753  Troleandomycin
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01F MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
    J01FA Macrolides
     J01FA08 Troleandomycin
      D01322  Troleandomycin (USP/INN)
BRITE hierarchy
Other DBs
CAS: 2751-09-9
PubChem: 583142
ChEBI: 45735
ChEMBL: CHEMBL564085
LIPIDMAPS: LMPK04000042
3DMET: B04555
NIKKAJI: J7.904I
LinkDB All DBs
KCF data Show

ATOM        57
            1   C1z C    21.2191  -12.2472
            2   C1x C    21.2059  -10.8588
            3   O2x O    22.4692  -11.5587
            4   C1x C    21.2191  -13.6123
            5   C5x C    20.0375  -11.5587
            6   C1y C    22.4066  -14.2836
            7   C1y C    18.8615  -12.2472
            8   O5x O    20.0375  -10.2049
            9   C1y C    22.4066  -15.6489
            10  C1a C    23.5769  -13.6066
            11  C1y C    18.8615  -13.6123
            12  C1a C    17.6797  -11.5587
            13  C1y C    21.2191  -16.3314
            14  O2a O    23.8442  -16.5362
            15  C1y C    17.6797  -14.2836
            16  C1y C    21.2191  -17.6911
            17  C1a C    20.0375  -15.6489
            18  C1y C    25.8979  -16.3028
            19  C1y C    17.6797  -15.6489
            20  C1a C    16.5038  -13.6066
            21  O2a O    22.4066  -18.3680
            22  C1y C    20.0375  -18.3680
            23  C1y C    26.5576  -15.1154
            24  O2x O    26.5977  -17.4674
            25  O7x O    18.8615  -16.3314
            26  C1a C    16.4980  -16.3373
            27  C1y C    22.4904  -20.0006
            28  C7x C    18.8615  -17.6911
            29  C1a C    20.0375  -19.7275
            30  C1y C    27.9172  -15.0924
            31  O7a O    25.8462  -13.9393
            32  C1y C    27.9514  -17.4443
            33  C1x C    22.4904  -21.3716
            34  O2x O    23.6664  -19.3237
            35  O6a O    17.6797  -18.3680
            36  C1x C    28.6112  -16.2569
            37  N1c N    28.5768  -13.9049
            38  C1y C    23.6664  -22.0428
            39  C1y C    24.8425  -20.0006
            40  C1a C    29.9306  -13.9502
            41  C1y C    24.8425  -21.3716
            42  O2a O    23.6723  -23.4023
            43  C1a C    26.0184  -19.3237
            44  O7a O    26.0184  -22.0428
            45  C1a C    22.4962  -24.0848
            46  C7a C    25.8387  -12.5644
            47  C1a C    27.0233  -11.8716
            48  O6a O    24.6463  -11.8848
            49  O7a O    16.9846  -12.5836
            50  C7a C    15.7923  -11.8974
            51  O6a O    15.7904  -10.5248
            52  C1a C    14.6046  -12.5851
            53  C7a C    27.2037  -21.3507
            54  C1a C    28.3957  -22.0310
            55  O6a O    27.1969  -19.9783
            56  C1a C    28.5768  -12.5397
            57  C1a C    28.6624  -18.6290
BOND        60
            1     7  11 1
            2     7  12 1 #Up
            3     9  13 1
            4     9  14 1 #Down
            5    11  15 1
            6    13  16 1
            7    13  17 1 #Down
            8    18  14 1 #Up
            9    15  19 1
            10   15  20 1 #Down
            11   16  21 1 #Down
            12   16  22 1
            13   18  23 1
            14   18  24 1
            15   19  25 1
            16   19  26 1 #Down
            17   27  21 1 #Down
            18   22  28 1
            19   22  29 1 #Up
            20   23  30 1
            21   23  31 1 #Down
            22   24  32 1
            23   27  33 1
            24   27  34 1
            25   28  35 2
            26   30  36 1
            27   30  37 1 #Up
            28   33  38 1
            29   34  39 1
            30   37  40 1
            31   38  41 1
            32   38  42 1 #Up
            33   39  43 1 #Up
            34   41  44 1 #Down
            35   42  45 1
            36    2   3 1
            37   25  28 1
            38   32  36 1
            39   39  41 1
            40   31  46 1
            41    1   2 1
            42   46  47 1
            43    1   3 1 #Up
            44   46  48 2
            45    1   4 1
            46   11  49 1 #Up
            47    1   5 1
            48   49  50 1
            49    4   6 1
            50   50  51 2
            51    5   7 1
            52   50  52 1
            53    5   8 2
            54   44  53 1
            55    6   9 1
            56   53  54 1
            57    6  10 1 #Down
            58   53  55 2
            59   37  56 1
            60   32  57 1 #Up

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