KEGG   COMPOUND: C11469Help
Entry
C11469                      Compound                               

Name
Calicheamicin gamma(1)I;
Calichemicin gamma1
Formula
C55H74IN3O21S4
Exact mass
1367.2742
Mol weight
1368.348
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map01059  Biosynthesis of enediyne antibiotics
map01100  Metabolic pathways
map01130  Biosynthesis of antibiotics
Module
M00833  Calicheamicin biosynthesis, calicheamicinone => calicheamicin
Enzyme
2.4.1.-         2.4.2.-
Other DBs
CAS: 108212-75-5
PubChem: 13640
ChEBI: 3319
NIKKAJI: J634.691J
KCF data Show

ATOM        84
            1   N1b N    41.1374  -15.8639
            2   C7a C    41.9619  -15.2279
            3   O7a O    43.0604  -15.8639
            4   C2y C    39.3760  -16.1464
            5   C1b C    34.0823  -17.0254
            6   C2b C    35.1807  -16.3193
            7   S3a S    32.9906  -16.3893
            8   C1z C    37.7194  -15.6941
            9   C1x C    38.4931  -14.9381
            10  C5x C    39.6977  -14.9381
            11  C2y C    36.4442  -16.3303
            12  C2y C    38.1038  -16.9717
            13  O5x O    40.6457  -14.0947
            14  O1a O    36.4422  -14.9947
            15  C0  C    39.6948  -16.6513
            16  C1y C    37.2720  -17.8052
            17  C0  C    38.4961  -18.1919
            18  C0  C    39.6281  -18.6352
            19  C2x C    40.9087  -19.0148
            20  C2x C    41.3095  -18.1259
            21  C0  C    40.4739  -17.2239
            22  S3a S    31.8989  -17.0254
            23  S3a S    30.8074  -16.3893
            24  C1a C    29.7159  -17.0254
            25  O2a O    37.2547  -19.3211
            26  C1b C    29.0060  -23.4651
            27  N1b N    30.1118  -22.8221
            28  C1a C    27.8933  -22.8221
            29  C1y C    33.3915  -19.1460
            30  C1y C    31.8408  -18.9412
            31  C1y C    32.6782  -20.2413
            32  C1y C    34.3728  -19.5994
            33  C1y C    35.8608  -20.0506
            34  O2x O    34.6216  -18.6167
            35  C1a C    32.8130  -18.1027
            36  N1b N    30.6385  -19.4359
            37  C1y C    25.5555  -18.4767
            38  C1y C    24.0045  -18.2789
            39  C1y C    24.8422  -19.5790
            40  C1x C    26.5296  -18.9300
            41  C1y C    28.0176  -19.3884
            42  O2x O    26.7855  -17.9545
            43  C1a C    24.9699  -17.4404
            44  S2a S    22.7599  -18.9220
            45  O1a O    24.8212  -20.9783
            46  O2a O    29.3187  -18.8038
            47  O2x O    15.5606  -22.6938
            48  C1y C    14.3843  -22.1779
            49  C1y C    13.2574  -23.4710
            50  C1y C    14.5967  -23.2166
            51  C1y C    16.2402  -23.8004
            52  C1y C    17.1818  -22.3113
            53  C1a C    13.0981  -22.2052
            54  O1a O    11.8803  -23.3215
            55  O2a O    14.0518  -24.5025
            56  C1a C    12.7900  -25.0604
            57  O1a O    16.2648  -25.2007
            58  O2a O    17.1182  -20.8761
            59  C8y C    18.3030  -18.8143
            60  C8y C    18.3030  -20.0793
            61  C8y C    19.3975  -20.7151
            62  C8y C    20.4780  -20.0793
            63  C8y C    20.4780  -18.8143
            64  C8y C    19.3975  -18.1855
            65  C1a C    19.3921  -16.9276
            66  C5a C    21.5770  -18.1863
            67  O2a O    21.5770  -20.7143
            68  O2a O    19.3921  -21.9801
            69  X   I    17.2049  -18.1848
            70  O5a O    21.5782  -16.9284
            71  C1a C    22.6539  -20.0915
            72  O2a O    35.2988  -21.0063
            73  O2x O    33.6230  -22.7219
            74  C1x C    32.4467  -22.2131
            75  C1y C    31.3198  -23.4992
            76  C1y C    32.6591  -23.2449
            77  C1x C    34.3026  -23.8285
            78  C1y C    35.2442  -22.3395
            79  O2a O    32.1352  -24.4813
            80  C1a C    30.8593  -25.0462
            81  O1a O    31.6012  -20.1012
            82  O6a O    41.9214  -13.8293
            83  C1a C    44.1534  -15.2305
            84  C1a C    20.6809  -22.6801
BOND        90
            1    40  41 1
            2    10   4 1
            3    41  42 1
            4    18  19 1
            5    37  43 1
            6     5   6 1
            7    38  44 1
            8    19  20 2
            9    39  45 1
            10    7  22 1
            11   41  46 1
            12   22  23 1
            13   47  52 1
            14   15  21 3
            15   47  48 1
            16   23  24 1
            17   48  49 1
            18   49  50 1
            19   16  25 1 #Down
            20   50  51 1
            21    8  11 1
            22   51  52 1
            23   48  53 1
            24   20  21 1
            25   49  54 1
            26   11   6 2
            27   50  55 1
            28   26  27 1
            29   55  56 1
            30   11  12 1
            31   51  57 1
            32   26  28 1
            33   52  58 1
            34    1   2 1
            35   29  34 1
            36    4  12 2
            37   29  30 1
            38    5   7 1
            39   30  31 1
            40   10  13 2
            41   31  32 1
            42    4   1 1
            43   32  33 1
            44    8  14 1 #Down
            45   33  34 1
            46    8  15 1
            47   29  35 1
            48   59  60 2
            49   60  61 1
            50   61  62 2
            51   62  63 1
            52   63  64 2
            53   64  59 1
            54   64  65 1
            55   63  66 1
            56   62  67 1
            57   61  68 1
            58   60  58 1
            59   59  69 1
            60   66  44 1
            61   66  70 2
            62   67  71 1
            63   46  36 1
            64   33  25 1
            65   32  72 1
            66    8   9 1
            67   73  78 1
            68   30  36 1
            69   73  74 1
            70   12  16 1
            71   74  75 1
            72   37  42 1
            73   75  76 1
            74    2   3 1
            75   76  77 1
            76   37  38 1
            77   77  78 1
            78   16  17 1
            79   76  79 1
            80   38  39 1
            81   79  80 1
            82   78  72 1
            83   75  27 1
            84    9  10 1
            85   31  81 1
            86    2  82 2
            87   39  40 1
            88    3  83 1
            89   17  18 3
            90   68  84 1

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