KEGG   DRUG: DaptomycinHelp
Entry
D01080                      Drug                                   

Name
Daptomycin (JAN/USAN/INN);
Cubicin (TN)
Product
  Generic
Formula
C72H101N17O26
Exact mass
1619.7104
Mol weight
1620.6706
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Sequence
0 FA  1 Trp  2 D-Asn  3 Asp  4 Thr  5 Gly  6 Orn  7 Asp  8 D-Ala
9 Asp  10 Gly  11 D-Ser  12 threo-Glu  13 Kyn  (Cyclization: 4-13)
  Type
NRP
Source
Streptomyces roseosporus [TAX:67294]
Remark
Same as: C12013
Therapeutic category: 6119
ATC code: J01XX09
Product: D01080<JP/US>
Efficacy
Antibacterial, Cell membrane function inhibitor
  Disease
Infective endocarditis [DS:H00334]
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01X OTHER ANTIBACTERIALS
    J01XX Other antibacterials
     J01XX09 Daptomycin
      D01080  Daptomycin (JAN/USAN/INN) <JP/US>
USP drug classification [BR:br08302]
 Antibacterials
  Antibacterials, Other
   Daptomycin
    D01080  Daptomycin (JAN/USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 6  Agents against pathologic organisms and parasites
  61  Antibiotics
   611  Acting mainly on gram-positive bacteria
    6119  Others
     D01080  Daptomycin (JAN/USAN/INN)
Antiinfectives [br08350.html]
 Antibacterials
  D01080
New drug approvals in the USA [br08319.html]
 New Molecular Entity and New Therapeutic Biological Product Approvals
  D01080
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D01080
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D01080
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D01080
BRITE hierarchy
Other DBs
CAS: 103060-53-3
PubChem: 7848143
ChEBI: 600103
DrugBank: DB00080
LigandBox: D01080
NIKKAJI: J359.001A
LinkDB All DBs
KCF data Show

ATOM        115
            1   C1a C    11.1300  -23.9400
            2   C1b C    12.3200  -24.6400
            3   C1b C    13.5800  -23.9400
            4   C1b C    14.7700  -24.6400
            5   C1b C    15.9600  -23.9400
            6   C1b C    17.2200  -24.6400
            7   C1b C    18.4100  -23.9400
            8   C1b C    19.6000  -24.6400
            9   C1b C    20.8600  -23.9400
            10  C5a C    22.0500  -24.6400
            11  N1b N    23.3100  -24.0100
            12  O5a O    22.0500  -26.0400
            13  C1c C    24.5000  -24.7100
            14  C5a C    25.7600  -24.0100
            15  N1b N    26.9500  -24.7800
            16  O5a O    25.7600  -22.6100
            17  C1c C    28.1400  -24.0800
            18  C5a C    29.3300  -24.7800
            19  C1b C    28.1400  -22.6800
            20  C5a C    29.3300  -21.9800
            21  N1a N    30.5200  -22.6800
            22  O5a O    29.3300  -20.5800
            23  N1b N    30.5900  -24.1500
            24  C1c C    31.7800  -24.8500
            25  O5a O    29.3300  -26.1800
            26  C1b C    24.5000  -26.1100
            27  C8y C    25.6900  -26.8100
            28  C8y C    26.1100  -28.1400
            29  C8y C    27.5100  -28.1400
            30  N4x N    27.9300  -26.8100
            31  C8x C    26.8100  -26.0400
            32  C8x C    25.4100  -29.3300
            33  C8x C    26.1800  -30.5900
            34  C8x C    27.5100  -30.5900
            35  C8x C    28.2100  -29.3300
            36  C5a C    33.0400  -24.1500
            37  C1b C    31.7800  -26.2500
            38  C6a C    32.9700  -26.9500
            39  O6a O    34.2300  -26.3200
            40  O6a O    32.9700  -28.3500
            41  N1b N    34.2300  -24.9200
            42  O5a O    33.0400  -22.7500
            43  C1c C    35.4200  -24.2200
            44  C1c C    36.9600  -24.9200
            45  C5a C    35.4200  -22.8200
            46  O5a O    36.6100  -22.1200
            47  N1b N    34.2300  -22.1200
            48  C1b C    34.2300  -20.7200
            49  C5a C    33.0400  -20.0200
            50  O5a O    31.8500  -20.7200
            51  N1b N    33.0400  -18.6200
            52  C1c C    31.8500  -17.9200
            53  C1b C    30.6600  -18.6200
            54  C5a C    31.8500  -16.5200
            55  C1b C    29.4700  -17.9200
            56  C1b C    28.2800  -18.6200
            57  N1a N    27.0900  -17.9200
            58  O5a O    30.6600  -15.8200
            59  N1b N    33.0400  -15.8200
            60  C1c C    33.7400  -14.6300
            61  C5a C    35.1400  -14.6300
            62  N1b N    35.8400  -15.8200
            63  C1b C    33.0400  -13.3700
            64  C6a C    31.6400  -13.3700
            65  O6a O    30.9400  -12.1800
            66  O6a O    30.9400  -14.5600
            67  O5a O    35.8400  -13.4400
            68  C1c C    37.0300  -16.5200
            69  C5a C    38.2200  -15.8200
            70  C1a C    37.0300  -17.9200
            71  N1b N    39.4100  -16.5200
            72  O5a O    38.2200  -14.4200
            73  C1c C    40.6000  -15.8200
            74  C5a C    41.7900  -16.5200
            75  C1b C    40.6000  -14.4200
            76  C6a C    41.7900  -13.7200
            77  O6a O    43.0500  -14.4200
            78  O6a O    41.7900  -12.3200
            79  N1b N    42.9800  -15.8200
            80  O5a O    41.7900  -17.9200
            81  C1b C    44.2400  -16.5200
            82  C5a C    44.2400  -17.9200
            83  N1b N    42.9800  -18.6200
            84  O5a O    45.4300  -18.6200
            85  C1c C    42.9800  -20.0200
            86  C5a C    41.7900  -20.7200
            87  C1b C    44.2400  -20.6500
            88  O1a O    45.4300  -19.9500
            89  O5a O    40.6000  -20.0200
            90  N1b N    41.7900  -22.1200
            91  C1c C    40.6000  -22.8200
            92  C1c C    39.4100  -22.1200
            93  C5a C    40.6000  -24.2200
            94  N1b N    39.4100  -24.9200
            95  O5a O    41.7900  -24.9200
            96  C1c C    39.4100  -26.3200
            97  C7a C    38.1500  -27.0200
            98  C1b C    40.6000  -27.0200
            99  O7a O    36.9600  -26.3200
            100 O6a O    38.1500  -28.4200
            101 C1a C    38.1500  -24.1500
            102 C1b C    39.4100  -20.7200
            103 C1a C    38.2200  -22.8200
            104 C6a C    38.2200  -20.0200
            105 O6a O    37.0300  -20.7200
            106 O6a O    38.2200  -18.6200
            107 C5a C    40.6000  -28.4200
            108 O5a O    39.4100  -29.1200
            109 C8y C    41.7900  -29.1200
            110 C8x C    41.7900  -30.5200
            111 C8x C    43.0500  -31.2200
            112 C8x C    44.2400  -30.5200
            113 C8x C    44.2400  -29.1200
            114 C8y C    43.0500  -28.4200
            115 N1a N    43.0500  -27.0200
BOND        118
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   10  12 2
            12   11  13 1
            13   13  14 1
            14   14  15 1
            15   14  16 2
            16   15  17 1
            17   17  18 1
            18   17  19 1 #Down
            19   19  20 1
            20   20  21 1
            21   20  22 2
            22   18  23 1
            23   23  24 1
            24   18  25 2
            25   13  26 1 #Down
            26   26  27 1
            27   27  28 1
            28   28  29 1
            29   29  30 1
            30   30  31 1
            31   27  31 2
            32   28  32 2
            33   32  33 1
            34   33  34 2
            35   34  35 1
            36   29  35 2
            37   24  36 1
            38   24  37 1 #Down
            39   37  38 1
            40   38  39 1
            41   38  40 2
            42   36  41 1
            43   36  42 2
            44   43  41 1 #Down
            45   43  44 1
            46   43  45 1
            47   45  46 2
            48   45  47 1
            49   47  48 1
            50   48  49 1
            51   49  50 2
            52   49  51 1
            53   51  52 1
            54   52  53 1 #Up
            55   52  54 1
            56   53  55 1
            57   55  56 1
            58   56  57 1
            59   54  58 2
            60   54  59 1
            61   59  60 1
            62   60  61 1
            63   61  62 1
            64   60  63 1 #Up
            65   63  64 1
            66   64  65 1
            67   64  66 2
            68   61  67 2
            69   62  68 1
            70   68  69 1
            71   68  70 1 #Up
            72   69  71 1
            73   69  72 2
            74   71  73 1
            75   73  74 1
            76   73  75 1 #Up
            77   75  76 1
            78   76  77 1
            79   76  78 2
            80   74  79 1
            81   74  80 2
            82   79  81 1
            83   81  82 1
            84   82  83 1
            85   82  84 2
            86   83  85 1
            87   85  86 1
            88   85  87 1 #Down
            89   87  88 1
            90   86  89 2
            91   86  90 1
            92   90  91 1
            93   91  92 1
            94   91  93 1
            95   93  94 1
            96   93  95 2
            97   94  96 1
            98   96  97 1
            99   96  98 1 #Up
            100  97  99 1
            101  97 100 2
            102  99  44 1
            103  44 101 1 #Up
            104  92 102 1
            105  92 103 1 #Down
            106 102 104 1
            107 104 105 1
            108 104 106 2
            109  98 107 1
            110 107 108 2
            111 107 109 1
            112 109 110 2
            113 110 111 1
            114 111 112 2
            115 112 113 1
            116 113 114 2
            117 109 114 1
            118 114 115 1

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