KEGG   COMPOUND: C11737Help
Entry
C11737                      Compound                               

Name
CB3717
Formula
C24H23N5O6
Exact mass
477.1648
Mol weight
477.4693
Structure
Mol fileKCF fileDB search
Other DBs
PubChem: 13902
ChEBI: 3258
ChEMBL: CHEMBL389051
PDB-CCD: CB3[PDBj]
NIKKAJI: J22.095G
KCF data Show

ATOM        35
            1   C8y C    18.1300  -23.8000
            2   C8y C    18.1300  -25.2000
            3   C8x C    19.3424  -25.9000
            4   C8y C    20.5549  -25.2000
            5   C8x C    20.5549  -23.8000
            6   C8x C    19.3424  -23.1000
            7   N5x N    16.9176  -23.1000
            8   C8y C    15.7051  -23.8000
            9   N4x N    15.7051  -25.2000
            10  C8y C    16.9176  -25.9000
            11  N1a N    14.4740  -23.0890
            12  O5x O    16.9176  -27.2998
            13  C1b C    21.7924  -25.9000
            14  N1c N    23.0049  -25.2000
            15  C8y C    24.2360  -25.9110
            16  C8x C    24.2357  -27.2999
            17  C8x C    25.4480  -28.0002
            18  C8y C    26.6606  -27.3005
            19  C8x C    26.6609  -25.9116
            20  C8x C    25.4486  -25.2113
            21  C1b C    23.0050  -23.8002
            22  C3b C    24.2362  -23.0893
            23  C3a C    25.4486  -22.3893
            24  C5a C    27.8797  -28.0047
            25  N1b N    29.0794  -27.3123
            26  C1c C    30.2643  -27.9967
            27  C1b C    31.4571  -27.3082
            28  C1b C    32.6455  -27.9946
            29  C6a C    33.8365  -27.3071
            30  O5a O    27.8793  -29.3999
            31  C6a C    30.2642  -29.3998
            32  O6a O    29.0336  -30.1103
            33  O6a O    31.4584  -30.0896
            34  O6a O    35.0258  -27.9941
            35  O6a O    33.8369  -25.9003
BOND        37
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     1   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 1
            11    2  10 1
            12    8  11 1
            13   10  12 2
            14    4  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   15  20 1
            23   14  21 1
            24   21  22 1
            25   22  23 3
            26   18  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   28  29 1
            32   24  30 2
            33   26  31 1 #Up
            34   31  32 2
            35   31  33 1
            36   29  34 1
            37   29  35 2

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