KEGG   COMPOUND: C06689Help
Entry
C06689                      Compound                               

Name
Vancomycin
Formula
C66H75Cl2N9O24
Exact mass
1447.4302
Mol weight
1449.2536
Structure
Mol fileKCF fileDB search
Remark
Same as: D00212
Reaction
Pathway
map01055  Biosynthesis of vancomycin group antibiotics
map01130  Biosynthesis of antibiotics
map01502  Vancomycin resistance
map02020  Two-component system
Enzyme
Brite
Compounds with biological roles [BR:br08001]
 Antibiotics
  Polyketides and nonribosomal peptides
   Non-ribosomal peptides
    C06689  Vancomycin
Lipids [BR:br08002]
 PK  Polyketides
  PK14 Non-ribosomal peptide/polyketide hybrids
   C06689  Vancomycin
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A07 ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS
   A07A INTESTINAL ANTIINFECTIVES
    A07AA Antibiotics
     A07AA09 Vancomycin
      D00212  Vancomycin (USP)
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01X OTHER ANTIBACTERIALS
    J01XA Glycopeptide antibacterials
     J01XA01 Vancomycin
      D00212  Vancomycin (USP)
USP drug classification [BR:br08302]
 Antibacterials
  Antibacterials, Other
   Vancomycin
    D00212  Vancomycin (USP)
BRITE hierarchy
Other DBs
CAS: 1404-90-6
PubChem: 8914
ChEBI: 28001
ChEMBL: CHEMBL262777 CHEMBL3735877
LIPIDMAPS: LMPK14000004
KNApSAcK: C00016052
NIKKAJI: J34.275K
LinkDB All DBs
KCF data Show

ATOM        101
            1   C1y C    22.1392  -23.0070
            2   C1x C    22.0785  -21.6649
            3   O2x O    23.2913  -23.6751
            4   C1z C    23.3097  -21.0130
            5   C1y C    24.4527  -23.0231
            6   C1y C    24.4619  -21.6810
            7   C1a C    22.3819  -19.9269
            8   N1a N    24.2727  -19.9400
            9   C1a C    25.6122  -23.6912
            10  O1a O    25.6306  -21.0292
            11  C8y C    19.9165  -18.7351
            12  C8y C    21.0732  -18.0677
            13  C8y C    18.7595  -18.0750
            14  O2a O    19.9248  -20.0700
            15  C8x C    21.0659  -16.7256
            16  O2x O    22.2226  -18.7278
            17  C8x C    18.7522  -16.7404
            18  O2x O    17.5954  -18.7278
            19  C1y C    18.7648  -21.8348
            20  C8y C    19.9016  -16.0583
            21  C8y C    23.3869  -18.0603
            22  C8y C    16.4311  -18.0677
            23  C1y C    18.7648  -23.1769
            24  O2x O    17.6007  -21.1675
            25  C1y C    19.8644  -13.9434
            26  C8y C    23.3869  -16.7256
            27  C8x C    24.5436  -18.7203
            28  C8y C    15.2745  -18.7278
            29  C8x C    16.4237  -16.7256
            30  C1y C    17.6154  -23.8592
            31  C1y C    16.4364  -21.8497
            32  C5x C    21.0138  -13.2686
            33  N1x N    18.7152  -13.2759
            34  C8x C    24.5436  -16.0507
            35  X   Cl   22.2226  -16.0434
            36  C8x C    25.6930  -18.0603
            37  C8x C    14.1174  -18.0750
            38  X   Cl   15.2669  -20.0627
            39  C8x C    15.2596  -16.0583
            40  C1y C    16.4436  -23.1993
            41  O1a O    17.6080  -25.1866
            42  N1x N    22.1781  -13.9434
            43  O5x O    21.0065  -11.9338
            44  C5x C    17.5581  -13.9507
            45  C8y C    25.6930  -16.7256
            46  C8y C    14.1102  -16.7404
            47  O1a O    15.2795  -23.8517
            48  C1y C    23.3975  -13.2686
            49  C1y C    16.4016  -13.2835
            50  O5x O    17.5509  -15.2856
            51  C1y C    26.8424  -16.0434
            52  C1y C    12.9459  -16.0583
            53  C8y C    23.4049  -11.9338
            54  C5x C    24.4843  -13.9358
            55  N1x N    15.2447  -13.9583
            56  C1y C    26.8349  -13.9434
            57  O1a O    27.9992  -16.7183
            58  C1y C    12.9385  -13.9656
            59  O1a O    11.7816  -16.7256
            60  C8x C    24.4918  -11.2663
            61  C8x C    22.1708  -11.2663
            62  N1x N    25.6409  -13.2611
            63  C5x C    14.0954  -13.2908
            64  C5x C    27.9919  -13.2686
            65  N1b N    11.7742  -13.2983
            66  C8y C    24.4918   -9.9241
            67  C8x C    22.1708   -9.9314
            68  O5x O    14.0878  -11.9560
            69  N1x N    27.9844  -11.9338
            70  O5x O    29.1487  -13.9434
            71  C5a C    10.6174  -13.9583
            72  C8y C    25.6558   -9.2714
            73  C8y C    23.3275   -9.2565
            74  C1y C    26.8200  -11.2663
            75  C1c C     9.4605  -13.2908
            76  O5a O    10.6100  -15.2929
            77  C8y C    26.8128   -9.9314
            78  C8y C    25.7185   -7.9293
            79  C6a C    29.0597   -9.9835
            80  C1b C     9.4532  -11.9560
            81  N1b N     8.2964  -13.9507
            82  C8x C    27.9695   -9.2565
            83  C8x C    26.7980   -7.2544
            84  O1a O    24.4843   -7.2544
            85  C8y C    28.0322   -7.9145
            86  O1a O    29.1115   -7.2324
            87  O5x O    24.4877  -15.3022
            88  O1a O    23.3222   -7.8619
            89  O6a O    30.2497  -10.6760
            90  O6a O    29.0642   -8.6198
            91  C1a C     8.2935  -15.3021
            92  C1c C     8.2680  -11.2812
            93  C1a C     7.0509  -11.9936
            94  C1a C     8.2594   -9.9287
            95  C1b C    16.3979  -11.1000
            96  C5a C    17.5716  -10.4179
            97  N1a N    18.7441  -11.0905
            98  O5a O    17.5679   -9.0333
            99  C1b C    15.2433  -21.1701
            100 O1a O    14.0810  -21.8505
            101 O2a O    20.3820  -23.8623
BOND        110
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     4   6 1
            6     4   7 1 #Up
            7     4   8 1 #Down
            8     5   9 1 #Down
            9     6  10 1 #Down
            10    5   6 1
            11   11  12 1
            12   11  13 2
            13   11  14 1
            14   12  15 2
            15   12  16 1
            16   13  17 1
            17   13  18 1
            18   19  14 1 #Up
            19   15  20 1
            20   16  21 1
            21   18  22 1
            22   19  23 1
            23   19  24 1
            24   20  25 1
            25   21  26 1
            26   21  27 2
            27   22  28 1
            28   22  29 2
            29   23  30 1
            30   24  31 1
            31   25  32 1
            32   25  33 1 #Up
            33   26  34 2
            34   26  35 1
            35   27  36 1
            36   28  37 2
            37   28  38 1
            38   29  39 1
            39   30  40 1
            40   30  41 1 #Up
            41   32  42 1
            42   32  43 2
            43   33  44 1
            44   34  45 1
            45   37  46 1
            46   40  47 1 #Down
            47   42  48 1
            48   44  49 1
            49   44  50 2
            50   45  51 1
            51   46  52 1
            52   48  53 1
            53   48  54 1 #Down
            54   49  55 1
            55   51  56 1
            56   51  57 1 #Down
            57   52  58 1
            58   52  59 1 #Up
            59   53  60 1
            60   53  61 2
            61   54  62 1
            62   55  63 1
            63   56  64 1
            64   58  65 1 #Up
            65   60  66 2
            66   61  67 1
            67   63  68 2
            68   64  69 1
            69   64  70 2
            70   65  71 1
            71   66  72 1
            72   66  73 1
            73   69  74 1
            74   71  75 1
            75   71  76 2
            76   72  77 2
            77   72  78 1
            78   74  79 1 #Down
            79   75  80 1
            80   75  81 1 #Down
            81   77  82 1
            82   78  83 2
            83   78  84 1
            84   82  85 2
            85   85  86 1
            86   17  20 2
            87   31  40 1
            88   36  45 2
            89   39  46 2
            90   56  62 1 #Down
            91   58  63 1
            92   67  73 2
            93   74  77 1
            94   83  85 1
            95   54  87 2
            96   73  88 1
            97   79  89 1
            98   79  90 2
            99   81  91 1
            100  80  92 1
            101  92  93 1
            102  92  94 1
            103  49  95 1 #Up
            104  95  96 1
            105  96  97 1
            106  96  98 2
            107  31  99 1 #Up
            108  99 100 1
            109  23 101 1 #Down
            110   1 101 1 #Up

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