KEGG   COMPOUND: C20927
Entry
C20927                      Compound                               
Name
Sulfazecin;
SQ 26445
Formula
C12H20N4O9S
Exact mass
396.0951
Mol weight
396.3736
Structure
Pathway
map00261  Monobactam biosynthesis
Other DBs
CAS: 77912-79-9
PubChem: 254741390
KCF data

ATOM        26
            1   N1b N    21.5928  -14.7673
            2   C1z C    22.8108  -15.4706
            3   C5x C    22.8108  -16.8764
            4   N1y N    24.2169  -16.8764
            5   C1x C    24.2169  -15.4706
            6   O5x O    21.8318  -17.8560
            7   S4a S    25.1980  -17.8572
            8   O2a O    22.8108  -14.0684
            9   C1a C    23.9901  -13.3876
            10  C5a C    20.3708  -15.4930
            11  C1c C    19.1565  -14.7919
            12  N1b N    17.9422  -15.4930
            13  C5a C    16.7279  -14.7919
            14  C1b C    15.5135  -15.4930
            15  C1b C    14.2992  -14.7919
            16  C1c C    13.0849  -15.4930
            17  O5a O    20.3794  -16.8950
            18  C1a C    19.1565  -13.3899
            19  O5a O    16.7279  -13.3898
            20  C6a C    11.8835  -14.7992
            21  N1a N    13.0848  -16.8950
            22  O6a O    10.6923  -15.4869
            23  O6a O    11.8834  -13.3900
            24  O1d O    26.2579  -18.8471
            25  O1d O    26.2579  -16.7273
            26  O1d O    24.2081  -18.9171
BOND        26
            1     2   1 1 #Up
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     2   5 1
            6     3   6 2
            7     4   7 1
            8     2   8 1 #Down
            9     8   9 1
            10    1  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   10  17 2
            18   11  18 1 #Down
            19   13  19 2
            20   16  20 1
            21   16  21 1 #Up
            22   20  22 1
            23   20  23 2
            24    7  24 1
            25    7  25 2
            26    7  26 2

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