KEGG   COMPOUND: C19701Help
Entry
C19701                      Compound                               

Name
Rebeccamycin
Formula
C27H21Cl2N3O7
Exact mass
569.0757
Mol weight
570.3775
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00404  Staurosporine biosynthesis
map01100  Metabolic pathways
map01130  Biosynthesis of antibiotics
Module
M00789  Rebeccamycin biosynthesis, tryptophan => rebeccamycin
Enzyme
Other DBs
CAS: 93908-02-2
PubChem: 135626169
ChEMBL: CHEMBL370100
KNApSAcK: C00017865
LinkDB All DBs
KCF data Show

ATOM        39
            1   C1y C    19.7791  -19.9405
            2   C1y C    19.7791  -21.3134
            3   C1y C    20.9681  -21.9999
            4   C1y C    22.1572  -21.3134
            5   C1y C    22.1572  -19.9405
            6   O2x O    20.9681  -19.2540
            7   O1a O    20.9681  -23.3727
            8   C1b C    18.5901  -19.2540
            9   O1a O    23.3645  -22.0107
            10  O2a O    18.5901  -21.9999
            11  C8y C    20.2036  -14.1202
            12  C8y C    21.5780  -14.1202
            13  C5x C    22.0027  -12.8131
            14  N1x N    20.8908  -12.0053
            15  C5x C    19.7790  -12.8131
            16  C8y C    19.3961  -15.2316
            17  C8y C    22.3858  -15.2321
            18  C8y C    18.0790  -15.6241
            19  C8y C    18.0453  -16.9980
            20  N4x N    19.3416  -17.4548
            21  C8y C    20.1765  -16.3630
            22  C8y C    21.5804  -16.4148
            23  N4y N    22.3920  -17.4541
            24  C8y C    23.6275  -17.0251
            25  C8y C    23.6931  -15.6508
            26  C8x C    16.9061  -14.9079
            27  C8x C    15.6306  -15.5656
            28  C8x C    15.5956  -16.9396
            29  C8y C    16.8385  -17.6558
            30  C8y C    24.8899  -17.7085
            31  C8x C    26.0780  -17.0175
            32  C8x C    26.1435  -15.6431
            33  C8x C    24.8811  -14.9598
            34  O5x O    18.4836  -12.3922
            35  O5x O    23.2981  -12.3922
            36  X   Cl   16.8755  -18.9988
            37  X   Cl   24.8955  -19.0677
            38  O1a O    17.4177  -19.9310
            39  C1a C    17.3919  -21.3078
BOND        45
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     3   7 1 #Up
            8     1   8 1 #Up
            9     4   9 1 #Down
            10    2  10 1 #Down
            11   11  12 2
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   11  15 1
            16   11  16 1
            17   12  17 1
            18   16  18 1
            19   18  19 2
            20   19  20 1
            21   20  21 1
            22   16  21 2
            23   17  22 2
            24   22  23 1
            25   23  24 1
            26   24  25 2
            27   17  25 1
            28   18  26 1
            29   26  27 2
            30   27  28 1
            31   28  29 2
            32   19  29 1
            33   24  30 1
            34   30  31 2
            35   31  32 1
            36   32  33 2
            37   25  33 1
            38   15  34 2
            39   13  35 2
            40   29  36 1
            41   30  37 1
            42   21  22 1
            43    5  23 1 #Up
            44    8  38 1
            45   10  39 1

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