KEGG   COMPOUND: C06770
Entry
C06770                      Compound                               
Name
Actinomycin D;
Dactinomycin
Formula
C62H86N12O16
Exact mass
1254.6285
Mol weight
1255.42
Structure
Sequence
0 4MHA  1 Thr  2 D-Val  3 Pro  4 Sar  5 Val
(Cyclization: 1-5, Dimer)
  Gene
0 acmA [UP:D6R238]; 1-2 acmB [UP:D6R239]; 3-5 acmC [UP:D6R240]
  Organism
Streptomyces chrysomallus
  Type
NRP
Remark
Same as: D00214
Comment
This sequence is NRPS assembly line of the actinomycin half-molecule.
5 Val is modified by N-methyl. (i.e. N-Methyl-L-valine)
Brite
Compounds with biological roles [BR:br08001]
 Antibiotics
  Polyketides and nonribosomal peptides
   Non-ribosomal peptides
    C06770  Actinomycin D
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01D CYTOTOXIC ANTIBIOTICS AND RELATED SUBSTANCES
    L01DA Actinomycines
     L01DA01 Dactinomycin
      D00214  Dactinomycin (USP) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Antineoplastics, Other
   Antineoplastics, Miscellaneous
    Dactinomycin
     D00214  Dactinomycin (USP)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   423  Antibiotics
    4233  Actinomycin D
     D00214  Dactinomycin (USP); Actinomycin D (JP18)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00214  Actinomycin D
Other DBs
CAS: 50-76-0
PubChem: 8990
ChEBI: 27666
NIKKAJI: J3.209C
LinkDB
KCF data

ATOM        90
            1   C8y C    23.1218  -11.0949
            2   C8y C    23.1341   -9.8211
            3   N5x N    22.0149  -11.7319
            4   C8y C    24.2101  -11.7382
            5   O2x O    22.0273   -9.1717
            6   C8y C    24.2412   -9.1965
            7   C8y C    20.9079  -11.0888
            8   C8y C    25.3233  -11.1073
            9   C5a C    24.2040  -13.0181
            10  C8y C    20.9203   -9.8024
            11  C8y C    25.3419   -9.8396
            12  C1a C    24.2473   -7.9287
            13  C8y C    19.8195  -11.7258
            14  N1a N    26.4240  -11.7627
            15  N1b N    25.3048  -13.6674
            16  O5a O    23.0909  -13.6427
            17  C8y C    19.8195   -9.1656
            18  O5x O    26.4425   -9.2088
            19  C8x C    18.7126  -11.0888
            20  C5a C    19.8195  -13.0057
            21  C1y C    25.2924  -14.9414
            22  C8x C    18.7126   -9.8024
            23  C1a C    19.8195   -7.8916
            24  N1b N    18.7126  -13.6427
            25  O5a O    20.9203  -13.6366
            26  C5x C    24.1793  -15.5722
            27  C1y C    26.3932  -15.5906
            28  C1y C    18.7126  -14.9228
            29  N1x N    24.2040  -20.6554
            30  O5x O    23.0846  -14.9228
            31  O7x O    27.5063  -14.9599
            32  C1a C    26.3869  -16.8646
            33  C5x C    19.8195  -15.5535
            34  C1y C    17.6058  -15.5598
            35  C1y C    25.8799  -21.3541
            36  C7x C    28.6008  -15.6093
            37  N1x N    19.8134  -20.5935
            38  O5x O    20.9265  -14.9167
            39  O7x O    16.5111  -14.9291
            40  C1a C    17.6058  -16.8399
            41  C5x C    27.8216  -20.6367
            42  C1c C    25.8799  -22.5909
            43  C1y C    29.7139  -14.9847
            44  O6a O    28.5884  -16.8894
            45  C1y C    18.5086  -21.2985
            46  C7x C    15.3980  -15.5659
            47  N1y N    29.7324  -21.4839
            48  O5x O    27.8216  -19.3567
            49  C1a C    24.7668  -23.2279
            50  C1a C    26.9805  -23.2279
            51  N1y N    30.8147  -15.6278
            52  C1c C    29.7263  -13.7046
            53  C5x C    16.2515  -20.6554
            54  C1c C    18.5086  -22.5786
            55  C1y C    14.2912  -14.9352
            56  O6a O    15.3980  -16.8460
            57  C1y C    30.7713  -20.7418
            58  C1x C    30.1158  -22.7021
            59  C5x C    30.8023  -16.9017
            60  C1a C    31.9278  -14.9970
            61  C1a C    30.8455  -13.0799
            62  C1a C    28.6316  -13.0552
            63  N1y N    14.2293  -21.4283
            64  O5x O    16.2515  -19.3629
            65  C1a C    17.4017  -23.2156
            66  C1a C    19.6154  -23.2156
            67  N1y N    13.1904  -15.5722
            68  C1c C    14.2849  -13.6551
            69  C1x C    31.7978  -21.5026
            70  C5x C    30.7836  -19.4556
            71  C1x C    31.3898  -22.7145
            72  C1x C    31.9031  -17.5509
            73  O5x O    29.6953  -17.5325
            74  C1y C    13.1965  -20.6862
            75  C1x C    13.8398  -22.6465
            76  C5x C    13.1965  -16.8522
            77  C1a C    12.0834  -14.9414
            78  C1a C    15.3980  -13.0181
            79  C1a C    13.1841  -13.0181
            80  N1y N    31.8968  -18.8373
            81  O5x O    29.6892  -18.8126
            82  C1x C    12.1576  -21.4283
            83  C5x C    13.1965  -19.4061
            84  C1x C    12.5597  -22.6465
            85  C1x C    12.0834  -17.4892
            86  O5x O    14.2912  -17.4830
            87  C1a C    33.0038  -19.4865
            88  N1y N    12.0896  -18.7692
            89  O5x O    14.2912  -18.7631
            90  C1a C    10.9889  -19.4124
BOND        96
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     4   8 2
            8     4   9 1
            9     5  10 1
            10    6  11 1
            11    6  12 1
            12    7  13 2
            13    8  14 1
            14    9  15 1
            15    9  16 2
            16   10  17 2
            17   11  18 2
            18   13  19 1
            19   13  20 1
            20   15  21 1
            21   17  22 1
            22   17  23 1
            23   20  24 1
            24   20  25 2
            25   21  26 1
            26   21  27 1
            27   24  28 1
            28   26  29 1
            29   26  30 2
            30   27  31 1
            31   27  32 1
            32   28  33 1
            33   28  34 1
            34   29  35 1
            35   31  36 1
            36   33  37 1
            37   33  38 2
            38   34  39 1
            39   34  40 1
            40   35  41 1
            41   35  42 1
            42   36  43 1
            43   36  44 2
            44   37  45 1
            45   39  46 1
            46   41  47 1
            47   41  48 2
            48   42  49 1
            49   42  50 1
            50   43  51 1
            51   43  52 1
            52   45  53 1
            53   45  54 1
            54   46  55 1
            55   46  56 2
            56   47  57 1
            57   47  58 1
            58   51  59 1
            59   51  60 1
            60   52  61 1
            61   52  62 1
            62   53  63 1
            63   53  64 2
            64   54  65 1
            65   54  66 1
            66   55  67 1
            67   55  68 1
            68   57  69 1
            69   57  70 1
            70   58  71 1
            71   59  72 1
            72   59  73 2
            73   63  74 1
            74   63  75 1
            75   67  76 1
            76   67  77 1
            77   68  78 1
            78   68  79 1
            79   70  80 1
            80   70  81 2
            81   74  82 1
            82   74  83 1
            83   75  84 1
            84   76  85 1
            85   76  86 2
            86   80  87 1
            87   83  88 1
            88   83  89 2
            89   88  90 1
            90    7  10 1
            91    8  11 1
            92   19  22 2
            93   69  71 1
            94   72  80 1
            95   82  84 1
            96   85  88 1

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