KEGG   DRUG: Acetylkitasamycin
Entry
D01614                      Drug                                   

Name
Acetylkitasamycin (JP18);
Neo-leucomycin H (TN)
Formula
C41H64NO16R
Structure
Simcomp
Class
Antibacterial
 DG01551  Macrolide antibiotic
  DG01876  16-Membered ring macrolide antibiotic
Remark
Same as: C13074
Chemical structure group: DG01203
Efficacy
Antibacterial, Protein biosynthesis inhibitor
Comment
R: See Acetylkitasamycin [CPD:C13074]
Target
50S ribosomal subunit
  Pathway
ko03010  Ribosome
Interaction
Structure map
map07020  Macrolides and ketolides
Brite
Drug groups [BR:br08330]
 Antibacterial
  DG01551  Macrolide antibiotic
   DG01876  16-Membered ring macrolide antibiotic
    DG01203  Kitasamycin
     D01614  Acetylkitasamycin
Antimicrobials [BR:br08307]
 Antibacterials
  Protein biosynthesis inhibitor
   Macrolide
    D01614  Acetylkitasamycin (JP18)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01614  Acetylkitasamycin
Drug groups [BR:br08330]
 Antibacterial
  DG01551  Macrolide antibiotic
   DG01876  16-Membered ring macrolide antibiotic
    DG01203  Kitasamycin
Antimicrobials abbreviations [BR:br08327]
 Antibacterials
  Protein biosynthesis inhibitor
   Macrolide
    DG01203  Kitasamycin
Other DBs
CAS: 178234-32-7
PubChem: 7848677
ChEBI: 31165
LinkDB
KCF data

ATOM        59
            1   C1y C    22.2968  -22.1697
            2   C1y C    23.4014  -22.8158
            3   O2a O    21.1968  -22.8158
            4   C1y C    22.2968  -20.9008
            5   C1y C    24.5181  -22.1697
            6   N1c N    23.4014  -24.0917
            7   C1y C    20.0979  -23.4508
            8   O2x O    23.4014  -20.2656
            9   C1y C    24.5181  -20.9008
            10  O7a O    25.6239  -22.8158
            11  C1a C    24.5069  -24.7256
            12  C1a C    22.3026  -24.7256
            13  C1x C    20.0979  -24.7199
            14  O2x O    18.9810  -22.8158
            15  O2a O    26.7458  -18.0246
            16  C1z C    18.9810  -25.3660
            17  C1y C    17.8764  -23.4508
            18  C1y C    23.4097  -14.3748
            19  C1y C    17.8764  -24.7199
            20  C1a C    18.1198  -26.5845
            21  O1a O    19.8773  -26.7432
            22  C1a C    16.7821  -22.8158
            23  C1y C    23.3809  -13.0654
            24  C1y C    22.2585  -15.0382
            25  O2a O    16.7821  -25.3660
            26  C1x C    22.1948  -12.4249
            27  C1b C    24.4275  -12.4191
            28  C1y C    22.2873  -16.4155
            29  O2a O    21.1005  -14.4086
            30  C1y C    22.1948  -11.1390
            31  C4a C    25.5387  -13.0486
            32  C1x C    21.0780  -17.0050
            33  C1y C    21.0723  -10.5040
            34  C1a C    23.2937  -10.4984
            35  O4a O    26.6375  -12.4023
            36  C7x C    19.9215  -16.3644
            37  C2x C    19.9734  -11.1390
            38  O7a O    21.0723   -9.2359
            39  O7x O    18.7664  -16.9994
            40  O6a O    19.9215  -15.0887
            41  C2x C    19.9734  -12.4249
            42  C1y C    17.6271  -16.3069
            43  C2x C    18.8452  -13.0654
            44  C1x C    17.6102  -14.9580
            45  C1a C    16.5045  -16.9193
            46  C2x C    18.8283  -14.3578
            47  C1a C    21.0669  -13.1388
            48  O7a O    23.3770  -17.0838
            49  C7a C    26.7934  -22.1487
            50  C1a C    27.9560  -22.8279
            51  O6a O    26.8005  -20.8022
            52  C7a C    23.3782  -18.4303
            53  C1a C    22.2126  -19.1043
            54  O6a O    24.5449  -19.1025
            55  C7a C    22.1705   -8.6017
            56  O6a O    22.1705   -7.3336
            57  C1a C    23.2687   -9.2359
            58  C1a C    21.1984  -20.2651
            59  R   R    15.5687  -24.6811
BOND        61
            1    24  29 1 #Down
            2    26  30 1
            3    27  31 1
            4    28  32 1
            5    30  33 1
            6    30  34 1 #Down
            7    31  35 2
            8    32  36 1
            9    33  37 1
            10   33  38 1 #Down
            11   36  39 1
            12   36  40 2
            13   37  41 2
            14   39  42 1
            15   41  43 1
            16   42  44 1
            17   42  45 1 #Down
            18   43  46 2
            19    8   9 1
            20   17  19 1
            21   44  46 1
            22   29  47 1
            23    1   2 1
            24    1   3 1 #Down
            25    1   4 1
            26    2   5 1
            27    2   6 1 #Up
            28    7   3 1 #Up
            29    4   8 1
            30    5   9 1
            31    5  10 1 #Down
            32    6  11 1
            33   28  48 1 #Down
            34    6  12 1
            35    7  13 1
            36    7  14 1
            37    9  15 1 #Up
            38   13  16 1
            39   10  49 1
            40   14  17 1
            41   49  50 1
            42   18  15 1 #Down
            43   49  51 2
            44   16  19 1
            45   48  52 1
            46   16  20 1 #Down
            47   52  53 1
            48   16  21 1 #Up
            49   52  54 2
            50   17  22 1 #Down
            51   38  55 1
            52   18  23 1
            53   55  56 2
            54   18  24 1
            55   55  57 1
            56   19  25 1 #Up
            57    4  58 1 #Up
            58   23  26 1
            59   23  27 1 #Down
            60   24  28 1
            61   25  59 1

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