KEGG   COMPOUND: C01552Help
Entry
C01552                      Compound                               

Name
Amastatin
Formula
C21H38N4O8
Exact mass
474.269
Mol weight
474.5484
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 67655-94-1 69400-55-1
PubChem: 4710
ChEBI: 2624
ChEMBL: CHEMBL28650
KNApSAcK: C00018188
NIKKAJI: J18.575B J93.423B
LinkDB All DBs
KCF data Show

ATOM        33
            1   C6a C    22.6800  -14.0000
            2   C1c C    21.4676  -13.3000
            3   N1b N    20.2551  -14.0000
            4   C5a C    19.0427  -13.3000
            5   C1c C    17.8303  -14.0000
            6   C1b C    21.4676  -11.9002
            7   C6a C    22.6968  -11.1903
            8   O6a O    23.9008  -11.8854
            9   O6a O    22.6966   -9.8001
            10  O6a O    23.8924  -13.3000
            11  O6a O    22.6800  -15.4000
            12  O5a O    19.0427  -11.9000
            13  C1c C    16.6327  -13.3085
            14  C1a C    15.4444  -13.9945
            15  C1a C    16.6326  -11.9003
            16  N1b N    17.8302  -15.3999
            17  C5a C    19.0575  -16.1086
            18  O5a O    20.2604  -15.4140
            19  C1c C    19.0573  -17.4999
            20  C1c C    17.8318  -18.2073
            21  N1b N    20.2567  -18.1926
            22  C1a C    16.6300  -17.5132
            23  C1a C    17.8318  -19.5999
            24  C5a C    21.4424  -17.5000
            25  C1c C    22.6549  -18.2000
            26  C1c C    23.8673  -17.5000
            27  C1b C    25.0797  -18.2000
            28  O5a O    21.4389  -16.1001
            29  O1a O    22.6549  -19.5998
            30  N1a N    23.8673  -16.1000
            31  C1c C    26.2773  -17.5085
            32  C1a C    27.4656  -18.1945
            33  C1a C    26.2774  -16.1003
BOND        32
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     2   6 1 #Up
            6     6   7 1
            7     7   8 1
            8     7   9 2
            9     1  10 1
            10    1  11 2
            11    4  12 2
            12    5  13 1
            13   13  14 1
            14   13  15 1
            15    5  16 1 #Up
            16   16  17 1
            17   17  18 2
            18   19  17 1 #Up
            19   19  20 1
            20   19  21 1
            21   20  22 1
            22   20  23 1
            23   21  24 1
            24   24  25 1
            25   25  26 1
            26   26  27 1
            27   24  28 2
            28   25  29 1 #Down
            29   26  30 1 #Down
            30   27  31 1
            31   31  32 1
            32   31  33 1

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