KEGG   COMPOUND: C19698Help
Entry
C19698                      Compound                               

Name
3,4-Bis(7-chloroindol-3-yl)pyrrole-2,5-dicarboxylate;
Dichlorochromopyrrolate
Formula
C22H13Cl2N3O4
Exact mass
453.0283
Mol weight
454.2623
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00404  Staurosporine biosynthesis
map01100  Metabolic pathways
map01130  Biosynthesis of antibiotics
Module
M00789  Rebeccamycin biosynthesis, tryptophan => rebeccamycin
Enzyme
1.13.12.17      1.21.98.2
Other DBs
PubChem: 135626166
PDB-CCD: 2CC[PDBj]
KCF data Show

ATOM        31
            1   C8y C    20.1882  -16.7579
            2   C8y C    21.5906  -16.7579
            3   C8y C    22.0240  -15.4241
            4   N4x N    20.8894  -14.5997
            5   C8y C    19.7548  -15.4241
            6   C8y C    19.3641  -17.8920
            7   C8y C    22.4149  -17.8925
            8   C8y C    18.0201  -18.2925
            9   C8y C    17.9857  -19.6945
            10  N4x N    19.3085  -20.1606
            11  C8x C    20.1604  -19.0465
            12  C8x C    21.5931  -19.0280
            13  N4x N    22.4212  -20.1599
            14  C8y C    23.7535  -19.7222
            15  C8y C    23.7490  -18.3197
            16  C8x C    16.8232  -17.5617
            17  C8x C    15.5917  -18.2329
            18  C8x C    15.5574  -19.6349
            19  C8y C    16.7543  -20.3658
            20  C8y C    24.9703  -20.4195
            21  C8x C    26.1826  -19.7144
            22  C8x C    26.1781  -18.3119
            23  C8x C    24.9613  -17.6146
            24  C6a C    18.4329  -14.9945
            25  C6a C    23.3459  -14.9945
            26  O6a O    17.3868  -15.9364
            27  O6a O    18.1436  -13.6331
            28  O6a O    24.3920  -15.9364
            29  O6a O    23.6353  -13.6331
            30  X   Cl   16.7205  -21.7362
            31  X   Cl   24.9746  -21.8066
BOND        35
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     1   5 2
            6     1   6 1
            7     2   7 1
            8     6   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 1
            12    6  11 2
            13    7  12 2
            14   12  13 1
            15   13  14 1
            16   14  15 2
            17    7  15 1
            18    8  16 1
            19   16  17 2
            20   17  18 1
            21   18  19 2
            22    9  19 1
            23   14  20 1
            24   20  21 2
            25   21  22 1
            26   22  23 2
            27   15  23 1
            28    5  24 1
            29    3  25 1
            30   24  26 1
            31   24  27 2
            32   25  28 1
            33   25  29 2
            34   19  30 1
            35   20  31 1

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