KEGG   COMPOUND: C11438Help
Entry
C11438                      Compound                               

Name
C-1027 Chromophore;
C-1027
Formula
C43H42ClN3O13
Exact mass
843.2406
Mol weight
844.2589
Structure
Mol fileKCF fileDB search
Pathway
map01059  Biosynthesis of enediyne antibiotics
map01100  Metabolic pathways
map01130  Biosynthesis of antibiotics
Other DBs
PubChem: 13610
ChEBI: 3252
ChEMBL: CHEMBL506048
NIKKAJI: J1.283.608B J1.608.793I
LinkDB All DBs
KCF data Show

ATOM        60
            1   C1z C    23.7460  -20.3057
            2   C1a C    23.7492  -22.1197
            3   N1c N    20.9211  -20.8670
            4   C1y C    22.0959  -20.1085
            5   C1y C    22.9093  -21.3829
            6   C1y C    24.5555  -20.7502
            7   C1y C    26.0098  -21.1928
            8   O2x O    24.8103  -19.7923
            9   C1a C    22.9240  -19.0970
            10  O1a O    22.8599  -22.7769
            11  O1a O    25.3246  -21.9266
            12  O2a O    27.2255  -20.5203
            13  C8y C    30.3135  -23.4228
            14  C8y C    30.3135  -24.7536
            15  C8x C    31.4605  -25.4224
            16  C8y C    32.6141  -24.7536
            17  C8x C    32.6141  -23.4228
            18  C8y C    31.4605  -22.7541
            19  O2x O    28.9727  -22.6761
            20  X   Cl   29.1558  -25.4231
            21  C1y C    33.7727  -25.4216
            22  C1x C    34.9231  -24.7519
            23  C1z C    28.5254  -19.4804
            24  C2y C    28.9524  -18.2117
            25  C2x C    27.8635  -17.4175
            26  C2x C    26.7822  -18.2117
            27  C2x C    27.1947  -19.4804
            28  C2y C    32.6229  -19.1426
            29  C1y C    33.7879  -18.5297
            30  C1x C    34.9600  -19.2126
            31  O7a O    33.8020  -17.1215
            32  C8y C    29.1376  -13.0521
            33  C8y C    29.1376  -14.4040
            34  N4x N    30.3126  -15.0796
            35  O2x O    30.3126  -12.3762
            36  C8y C    31.4737  -13.0521
            37  C8y C    31.4677  -14.4040
            38  C8y C    32.6367  -15.0848
            39  C8x C    33.8118  -14.4143
            40  C8y C    33.8177  -13.0624
            41  C8x C    32.6485  -12.3814
            42  C2a C    27.9588  -12.3756
            43  O5x O    27.9588  -15.0803
            44  O2a O    34.9927  -12.3846
            45  C1a C    36.1688  -13.0727
            46  C7a C    32.6308  -16.4368
            47  O6a O    31.4557  -17.1073
            48  C2x C    32.6124  -20.4452
            49  C0  C    31.3285  -18.7950
            50  C0  C    30.1046  -18.4616
            51  C0  C    31.3304  -20.8620
            52  C0  C    30.1820  -20.8577
            53  C1y C    28.9703  -20.8557
            54  O7x O    34.9584  -20.5434
            55  C7x C    34.9187  -23.4172
            56  N1a N    33.7738  -26.7593
            57  O6a O    36.3189  -23.4831
            58  O1a O    31.4062  -21.8029
            59  C1a C    19.6807  -20.2310
            60  C1a C    20.9206  -22.2594
BOND        66
            1     6   7 1
            2     1   8 1
            3     7   8 1
            4     1   2 1
            5     1   9 1
            6     4   3 1
            7     1   4 1
            8     5  10 1
            9     6  11 1
            10    4   5 1
            11    7  12 1
            12   28  29 1
            13   29  30 1
            14   29  31 1 #Up
            15   13  14 2
            16   14  15 1
            17   32  33 1
            18   33  34 1
            19   34  37 1
            20   36  35 1
            21   35  32 1
            22   15  16 2
            23   16  17 1
            24   17  18 2
            25   18  13 1
            26   13  19 1
            27   36  37 2
            28   37  38 1
            29   38  39 2
            30   39  40 1
            31   40  41 2
            32   41  36 1
            33   32  42 2
            34   14  20 1
            35   33  43 2
            36   40  44 1
            37   16  21 1
            38   44  45 1
            39   38  46 1
            40   21  22 1
            41   46  47 2
            42   46  31 1
            43   22  55 1
            44   28  48 2
            45   28  49 1
            46   49  50 3
            47   50  24 1
            48   48  51 1
            49   51  52 3
            50   23  53 1
            51   53  52 1
            52   23  24 1
            53   30  54 1
            54   24  25 2
            55   54  55 1
            56   53  19 1 #Up
            57   25  26 1
            58   21  56 1 #Down
            59   26  27 2
            60   55  57 2
            61   23  12 1 #Down
            62   27  23 1
            63   18  58 1
            64    3  59 1
            65    5   6 1
            66    3  60 1

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