KEGG   COMPOUND: C15482Help
Entry
C15482                      Compound                               

Name
Bacitracin A
Formula
C66H103N17O16S
Exact mass
1421.7489
Mol weight
1422.6933
Structure
Mol fileKCF fileDB search
Sequence
0 Ile  1 Cys  2 Leu  3 D-Glu  4 Ile  5 Lys  6 D-Orn  7 Ile  8 D-Phe
9 His  10 D-Asp  11 Asn  (Cyclization: 5-11)
  Gene
0-4 bacA [UP:O68006]; 5-6 bacB [UP:O68007]; 7-11 bacC [UP:O68008]
  Organism
Bacillus licheniformis [GN:bli bld]
  Type
NRP
Pathway
map01054  Nonribosomal peptide structures
Brite
Compounds with biological roles [BR:br08001]
 Antibiotics
  Polyketides and nonribosomal peptides
   Non-ribosomal peptides
    C15482  Bacitracin A
BRITE hierarchy
Other DBs
CAS: 22601-59-8
PubChem: 17396476
ChEBI: 35862
ChEMBL: CHEMBL1200558 CHEMBL1868381
NIKKAJI: J201.471H
LinkDB All DBs
KCF data Show

ATOM        100
            1   S2x S    24.1538  -20.9541
            2   C1x C    25.5345  -20.9541
            3   C1y C    25.9487  -19.6424
            4   N2x N    24.8442  -18.8140
            5   C2y C    23.7396  -19.6424
            6   C1c C    22.5661  -18.9521
            7   N1a N    21.3234  -19.6424
            8   C5a C    27.1223  -18.9521
            9   N1b N    28.3649  -19.6424
            10  C1c C    29.5385  -18.9521
            11  C5a C    30.7121  -19.6424
            12  N1b N    31.9547  -18.9521
            13  C1c C    33.1283  -19.6424
            14  C5a C    34.3019  -18.9521
            15  N1b N    35.5445  -19.6424
            16  C1c C    36.7181  -18.9521
            17  C5a C    37.8917  -19.6424
            18  N1b N    39.1343  -18.9521
            19  C1c C    40.3079  -19.6424
            20  C5a C    41.4815  -18.9521
            21  N1b N    42.6550  -19.6424
            22  C1c C    43.8977  -18.9521
            23  C5a C    45.0712  -19.6424
            24  N1b N    46.2448  -18.9521
            25  C1c C    22.5661  -17.5714
            26  C1a C    23.7396  -16.8811
            27  C1b C    21.3925  -16.8811
            28  C1a C    21.3925  -15.5004
            29  O5a O    27.1223  -17.5714
            30  O5a O    30.7121  -21.0231
            31  O5a O    34.3019  -17.5714
            32  O5a O    37.8917  -21.0231
            33  O5a O    41.4815  -17.5714
            34  O5a O    45.0712  -21.0231
            35  C1b C    29.4005  -17.0191
            36  C1c C    30.5740  -16.3288
            37  C1a C    31.7476  -17.0191
            38  C1a C    30.5740  -14.9481
            39  C1b C    33.1283  -21.0231
            40  C1b C    31.9547  -21.7135
            41  C6a C    31.9547  -23.0941
            42  O6a O    30.7121  -23.7845
            43  O6a O    33.1283  -23.7845
            44  C1c C    36.7181  -17.5714
            45  C1b C    35.5445  -16.8811
            46  C1a C    37.8917  -16.8811
            47  C1a C    35.5445  -15.5004
            48  C1b C    40.3079  -21.0231
            49  C1b C    43.8977  -17.5714
            50  C1c C    47.4184  -19.6424
            51  C5a C    47.4184  -21.7135
            52  O5a O    46.2448  -22.4038
            53  N1b N    48.6610  -22.4038
            54  C1c C    48.6610  -24.2677
            55  C5a C    47.4184  -24.9581
            56  N1b N    47.4184  -26.3388
            57  O5a O    46.2448  -24.2677
            58  C1c C    46.2448  -27.0291
            59  C5a C    45.0712  -26.3388
            60  N1b N    43.8286  -27.0291
            61  O5a O    45.0712  -24.9581
            62  C1c C    42.6330  -26.3388
            63  C5a C    41.4372  -27.0291
            64  N1b N    40.2415  -26.3388
            65  O5a O    41.4372  -28.4098
            66  C1b C    39.1122  -21.7135
            67  C1b C    45.0933  -16.8811
            68  C1b C    45.0933  -15.5004
            69  N1a N    43.8977  -14.8100
            70  C1c C    48.6141  -18.9521
            71  C1a C    49.7931  -19.6330
            72  C1b C    48.6142  -17.5716
            73  C1a C    49.8099  -16.8812
            74  C1b C    49.8567  -24.9581
            75  C8y C    51.0525  -24.2677
            76  C8x C    52.2666  -24.9689
            77  C8x C    53.4624  -24.2788
            78  C8x C    53.4626  -22.8981
            79  C8x C    52.2484  -22.1969
            80  C8x C    51.0527  -22.8870
            81  C1b C    46.2448  -28.4098
            82  C8y C    47.4405  -29.1001
            83  N5x N    47.5846  -30.4708
            84  C8x C    48.9326  -30.7573
            85  N4x N    49.6218  -29.5638
            86  C8x C    48.6996  -28.5396
            87  C1c C    39.0458  -27.0291
            88  C5a C    37.8501  -26.3388
            89  N1b N    37.8501  -24.9581
            90  O5a O    36.6544  -27.0291
            91  C1b C    39.0458  -28.4097
            92  C5a C    37.8501  -29.1000
            93  O5a O    37.8501  -30.4807
            94  N1a N    36.6544  -28.4097
            95  C1b C    39.1122  -23.0941
            96  C1b C    42.6330  -24.4058
            97  C1b C    37.9164  -23.7845
            98  C6a C    41.4372  -23.7155
            99  O6a O    40.2415  -24.4058
            100 O6a O    41.4372  -22.3348
BOND        103
            1     1   2 1
            2     3   2 1
            3     3   4 1
            4     4   5 2
            5     1   5 1
            6     5   6 1
            7     6   7 1 #Up
            8     3   8 1 #Down
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   16  15 1 #Up
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   21  22 1
            23   22  23 1
            24   23  24 1
            25    6  25 1
            26   25  26 1 #Down
            27   25  27 1
            28   27  28 1
            29    8  29 2
            30   11  30 2
            31   14  31 2
            32   17  32 2
            33   20  33 2
            34   23  34 2
            35   10  35 1 #Up
            36   35  36 1
            37   36  37 1
            38   36  38 1
            39   13  39 1 #Up
            40   39  40 1
            41   40  41 1
            42   41  42 1
            43   41  43 2
            44   16  44 1
            45   44  45 1
            46   44  46 1 #Down
            47   45  47 1
            48   19  48 1 #Down
            49   22  49 1 #Down
            50   50  24 1 #Up
            51   50  51 1
            52   51  52 2
            53   51  53 1
            54   53  54 1
            55   54  55 1
            56   55  56 1
            57   55  57 2
            58   56  58 1
            59   58  59 1
            60   59  60 1
            61   59  61 2
            62   60  62 1
            63   62  63 1
            64   63  64 1
            65   63  65 2
            66   48  66 1
            67   49  67 1
            68   67  68 1
            69   68  69 1
            70   50  70 1
            71   70  71 1 #Down
            72   70  72 1
            73   72  73 1
            74   54  74 1 #Down
            75   74  75 1
            76   75  76 2
            77   76  77 1
            78   77  78 2
            79   78  79 1
            80   79  80 2
            81   75  80 1
            82   58  81 1 #Up
            83   81  82 1
            84   82  83 1
            85   83  84 2
            86   84  85 1
            87   85  86 1
            88   82  86 2
            89   64  87 1
            90   87  88 1
            91   88  89 1
            92   88  90 2
            93   87  91 1 #Up
            94   91  92 1
            95   92  93 2
            96   92  94 1
            97   66  95 1
            98   62  96 1 #Up
            99   95  97 1
            100  89  97 1
            101  96  98 1
            102  98  99 2
            103  98 100 1

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