KEGG   COMPOUND: C12014Help
Entry
C12014                      Compound                               

Name
Chloroeremomycin;
Chloroorienticin A
Formula
C73H88Cl2N10O26
Exact mass
1590.5248
Mol weight
1592.4372
Structure
Mol fileKCF fileDB search
Sequence
0 D-Leu  1 D-Tyr  2 Asn  3 D-Hpg  4 D-Hpg  5 Tyr  6 Dpg
  Gene
0-2 cepA [UP:O52819]; 3-5 cepB [UP:O52820]; 6 cepC [UP:O52821]
  Organism
Amycolatopsis orientalis
  Type
NRP
Pathway
map01055  Biosynthesis of vancomycin group antibiotics
map01130  Biosynthesis of antibiotics
Other DBs
CAS: 118395-73-6
PubChem: 14172
ChEBI: 29556
ChEMBL: CHEMBL1688951
KNApSAcK: C00017622
NIKKAJI: J410.822A
LinkDB All DBs
KCF data Show

ATOM        111
            1   C8y C    26.9609  -19.7281
            2   C8y C    25.7700  -20.3835
            3   C8y C    28.0544  -20.4235
            4   O2a O    26.9808  -18.3699
            5   C8x C    25.7499  -21.7495
            6   O2x O    24.6139  -19.6881
            7   C8x C    28.1045  -21.7819
            8   O2x O    29.3225  -19.7833
            9   C1y C    28.1261  -16.5961
            10  C8y C    26.9209  -22.4524
            11  C8y C    23.4154  -20.3436
            12  C8y C    30.4938  -20.4787
            13  C1y C    28.1537  -15.2306
            14  O2x O    29.2972  -17.2991
            15  C1y C    26.9309  -23.8340
            16  C8x C    23.4580  -21.7018
            17  C8y C    22.2520  -19.6482
            18  C8y C    31.6842  -19.8310
            19  C8x C    30.5438  -21.8449
            20  O2a O    26.6184  -13.5084
            21  C1y C    29.3374  -14.5597
            22  C1y C    30.4960  -16.6289
            23  C5x C    25.7475  -24.4970
            24  N1x N    28.0865  -24.5368
            25  C8x C    22.1971  -22.3647
            26  C8x C    21.0689  -20.2961
            27  C8x C    32.8482  -20.5190
            28  X   Cl   31.7194  -18.4730
            29  C8x C    31.6445  -22.5477
            30  C1y C    28.3043  -11.5193
            31  C1y C    30.5160  -15.2555
            32  O1a O    29.3722  -13.2092
            33  C1b C    31.6664  -17.3470
            34  N1x N    24.5765  -23.7865
            35  O5x O    25.7273  -25.8555
            36  C5x C    29.2777  -23.8738
            37  C8y C    21.0413  -21.6545
            38  C8y C    32.8282  -21.8773
            39  C1x C    28.2619  -10.1535
            40  O2x O    29.4679  -12.2147
            41  O1a O    31.7141  -14.6155
            42  O1a O    33.0248  -17.3821
            43  C1y C    23.3931  -24.4495
            44  C1y C    30.4412  -24.5767
            45  O5x O    29.2427  -22.5157
            46  C1y C    19.8576  -22.3248
            47  C1y C    33.9989  -22.5954
            48  C1z C    29.5226   -9.5060
            49  C1y C    30.6585  -11.5668
            50  C8y C    23.3583  -25.8076
            51  C5x C    22.2297  -23.7467
            52  N1x N    31.6321  -23.9139
            53  C1b C    29.2501  -25.2396
            54  C1y C    19.9077  -23.6909
            55  O2a O    18.6945  -21.6144
            56  C1y C    34.0488  -23.9537
            57  O1a O    35.1973  -21.9403
            58  C1y C    30.6861  -10.2012
            59  C1a C    28.5910   -8.5282
            60  N1a N    30.5151   -8.3570
            61  C1a C    31.8297  -12.2624
            62  C8x C    22.1671  -26.4631
            63  C8x C    24.5290  -26.5108
            64  N1x N    21.0387  -24.4097
            65  O5x O    21.2593  -22.8287
            66  C5x C    32.7880  -24.6167
            67  C5a C    29.2302  -26.5981
            68  C5x C    18.6466  -24.3538
            69  N1b N    35.1500  -24.6568
            70  O1a O    31.8842   -9.5535
            71  C8y C    22.2095  -27.8288
            72  C8x C    24.5015  -27.8691
            73  O5x O    32.7683  -25.9750
            74  N1a N    30.4012  -27.3012
            75  O5a O    28.0392  -27.2609
            76  N1x N    18.6269  -25.7121
            77  O5x O    17.4835  -23.6434
            78  C5a C    36.3407  -24.0089
            79  C8y C    20.9417  -28.4690
            80  C8y C    23.3105  -28.5321
            81  C1y C    19.7978  -26.4154
            82  C1c C    37.5042  -24.7119
            83  O5a O    36.3058  -22.7210
            84  C8y C    19.7779  -27.7738
            85  C8y C    20.9216  -29.8348
            86  O1a O    23.2906  -29.8279
            87  C6a C    17.4927  -27.6746
            88  C1b C    37.5541  -26.0702
            89  N1b N    38.7026  -24.0643
            90  C8x C    18.5871  -28.4366
            91  C8x C    19.7381  -30.4981
            92  O1a O    21.8823  -30.5455
            93  O6a O    16.1343  -27.6472
            94  O6a O    17.4728  -29.0331
            95  C1c C    36.3009  -26.7334
            96  C1a C    39.8735  -24.7671
            97  C8y C    18.6370  -29.8024
            98  C1a C    34.8590  -26.7397
            99  C1a C    36.3510  -28.0917
            100 O1a O    17.3835  -30.4731
            101 C1y C    18.7058  -20.2401
            102 O2x O    19.9018  -19.5627
            103 C1y C    19.9130  -18.1884
            104 C1y C    18.7284  -17.4913
            105 C1z C    17.5325  -18.1687
            106 C1x C    17.5211  -19.5430
            107 C1a C    21.1089  -17.5110
            108 O1a O    18.7398  -16.1169
            109 C1a C    16.3145  -18.8282
            110 N1a N    16.5727  -17.1728
            111 X   Cl   22.2782  -18.2694
BOND        121
            1     6  11 1
            2     8  12 1
            3     9  13 1
            4     9  14 1
            5    10  15 1
            6    11  16 1
            7    11  17 2
            8    12  18 1
            9    12  19 2
            10   13  20 1 #Down
            11   13  21 1
            12   14  22 1
            13   15  23 1
            14   15  24 1 #Up
            15   16  25 2
            16   17  26 1
            17   18  27 2
            18   18  28 1
            19   19  29 1
            20   30  20 1 #Up
            21   21  31 1
            22   21  32 1 #Up
            23   22  33 1 #Up
            24   23  34 1
            25   23  35 2
            26   24  36 1
            27   25  37 1
            28   27  38 1
            29   30  39 1
            30   30  40 1
            31   31  41 1 #Down
            32   33  42 1
            33   43  34 1 #Down
            34   36  44 1
            35   36  45 2
            36   37  46 1
            37   38  47 1
            38   39  48 1
            39   40  49 1
            40   43  50 1
            41   43  51 1
            42   44  52 1
            43   44  53 1 #Up
            44   46  54 1
            45   46  55 1 #Down
            46   47  56 1
            47   47  57 1 #Up
            48   48  58 1
            49   48  59 1 #Up
            50   48  60 1 #Down
            51   49  61 1 #Down
            52   50  62 1
            53   50  63 2
            54   51  64 1
            55   51  65 2
            56   52  66 1
            57   53  67 1
            58   54  68 1
            59   56  69 1 #Up
            60   58  70 1 #Up
            61   62  71 2
            62   63  72 1
            63   66  73 2
            64   67  74 1
            65   67  75 2
            66   68  76 1
            67   68  77 2
            68   69  78 1
            69   71  79 1
            70   71  80 1
            71   76  81 1
            72   78  82 1
            73   78  83 2
            74   79  84 2
            75   79  85 1
            76   80  86 1
            77   81  87 1 #Down
            78   82  88 1
            79   82  89 1 #Down
            80   84  90 1
            81   85  91 2
            82   85  92 1
            83   87  93 1
            84   87  94 2
            85   88  95 1
            86   89  96 1
            87   90  97 2
            88   95  98 1
            89   95  99 1
            90   97 100 1
            91    7  10 2
            92   22  31 1
            93   26  37 2
            94   29  38 2
            95   49  58 1
            96   54  64 1 #Down
            97   56  66 1
            98   72  80 2
            99   81  84 1
            100  91  97 1
            101 101  55 1 #Up
            102   1   2 1
            103   1   3 2
            104   1   4 1
            105   2   5 2
            106   2   6 1
            107 101 102 1
            108 102 103 1
            109 103 104 1
            110 104 105 1
            111 105 106 1
            112 106 101 1
            113   3   7 1
            114 103 107 1 #Down
            115   3   8 1
            116 104 108 1 #Up
            117   9   4 1 #Up
            118 105 109 1 #Up
            119   5  10 1
            120 105 110 1 #Down
            121  17 111 1

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