KEGG   COMPOUND: C02808
Entry
C02808                      Compound                               
Name
Acetylblasticidin S
Formula
C19H28N8O6
Exact mass
464.2132
Mol weight
464.4756
Structure
Other DBs
PubChem: 5758
ChEBI: 2413
NIKKAJI: J2.739.653D
LinkDB
KCF data

ATOM        33
            1   C1y C    23.1845  -15.7988
            2   N4y N    23.7743  -14.1316
            3   O2x O    22.0409  -15.1488
            4   C2x C    23.1845  -17.1050
            5   C8y C    24.8997  -13.4575
            6   C8x C    22.6186  -13.4575
            7   C1y C    20.9093  -15.7988
            8   C2x C    22.0409  -17.7670
            9   N5x N    24.8997  -12.1334
            10  O5x O    26.0374  -14.1075
            11  C8x C    22.6186  -12.1334
            12  C1y C    20.9093  -17.1050
            13  C6a C    19.7777  -15.1427
            14  C8y C    23.7683  -11.4773
            15  N1b N    19.7418  -18.2666
            16  O6a O    19.7777  -13.8366
            17  O6a O    18.6402  -15.8048
            18  N1a N    23.7743  -10.1712
            19  C5a C    17.6953  -18.2666
            20  C1b C    17.0453  -17.1289
            21  O5a O    17.0393  -19.3979
            22  C1c C    15.7332  -17.1289
            23  C1b C    15.0832  -15.9914
            24  N1b N    15.0771  -18.2604
            25  C1b C    13.7712  -15.9914
            26  C5a C    12.9466  -18.2425
            27  N1c N    12.8201  -14.8718
            28  C1a C    12.4469  -19.4281
            29  O5a O    12.4530  -17.1591
            30  C2c C    11.5141  -14.8659
            31  C1a C    13.9823  -13.8496
            32  N1a N    10.8641  -13.7343
            33  N2a N    10.8580  -15.9975
BOND        34
            1     1   2 1 #Up
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 2
            8     5   9 1
            9     5  10 2
            10    6  11 2
            11    7  12 1
            12    7  13 1 #Up
            13    9  14 2
            14   12  15 1 #Down
            15   13  16 1
            16   13  17 2
            17   14  18 1
            18   15  19 1
            19   19  20 1
            20   19  21 2
            21   20  22 1
            22   22  23 1
            23   22  24 1
            24   23  25 1
            25   24  26 1
            26   25  27 1
            27   26  28 1
            28   26  29 2
            29   27  30 1
            30   27  31 1
            31   30  32 1
            32   30  33 2
            33    8  12 1
            34   11  14 1

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