KEGG   COMPOUND: C17998
Entry
C17998                      Compound                               
Name
Saccharocin;
KA-5685;
4''-Deamino-4''-hydroxyapramycin
Formula
C21H40N4O12
Exact mass
540.2643
Mol weight
540.5619
Structure
Other DBs
CAS: 86630-31-1
PubChem: 96024218
ChEBI: 81449
KNApSAcK: C00018507
NIKKAJI: J139.294H
LinkDB
KCF data

ATOM        37
            1   O1a O    19.8144  -29.0979
            2   C1y C    21.0817  -28.3938
            3   C1y C    22.2784  -29.0979
            4   C1x C    23.5456  -28.3938
            5   C1y C    23.5456  -26.9859
            6   C1y C    22.2784  -26.2819
            7   C1y C    21.0817  -26.9859
            8   N1a N    22.2784  -30.5060
            9   O1a O    19.8849  -26.2819
            10  N1a N    24.7425  -26.2819
            11  O2a O    22.2784  -24.8739
            12  C1y C    23.4752  -24.1698
            13  O2x O    24.6721  -24.8739
            14  C1y C    25.9394  -24.1698
            15  C1y C    25.9394  -22.7618
            16  C1x C    24.7425  -22.0578
            17  C1y C    23.4752  -22.7618
            18  N1a N    22.2784  -22.0578
            19  C1y C    27.1362  -24.8739
            20  C1y C    28.3329  -24.1698
            21  C1y C    28.3329  -22.7618
            22  O2x O    27.1362  -22.0578
            23  O2a O    29.5297  -22.0578
            24  N1b N    29.5297  -24.8739
            25  O1a O    27.1362  -26.2819
            26  C1a C    30.7266  -24.1698
            27  C1y C    30.7266  -19.9458
            28  C1y C    30.7266  -21.3537
            29  O2x O    31.9235  -22.0578
            30  C1y C    33.1907  -21.3537
            31  C1y C    33.1907  -19.9458
            32  C1y C    31.9235  -19.2418
            33  O1a O    29.5297  -19.2418
            34  O1a O    34.3874  -19.2418
            35  O1a O    31.9235  -17.8338
            36  C1b C    34.3874  -22.0578
            37  O1a O    35.5842  -21.3537
BOND        40
            1     2   1 1 #Down
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     2   7 1
            8     3   8 1 #Up
            9     7   9 1 #Up
            10    5  10 1 #Up
            11    6  11 1 #Down
            12   12  11 1 #Down
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   12  17 1
            19   17  18 1 #Down
            20   14  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24   15  22 1
            25   21  23 1 #Down
            26   20  24 1 #Up
            27   19  25 1 #Up
            28   24  26 1
            29   27  28 1
            30   28  29 1
            31   29  30 1
            32   30  31 1
            33   31  32 1
            34   27  32 1
            35   28  23 1 #Down
            36   27  33 1 #Down
            37   31  34 1 #Down
            38   32  35 1 #Up
            39   30  36 1 #Up
            40   36  37 1

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