KEGG   COMPOUND: C20928
Entry
C20928                      Compound                               

Name
MM 42842
Formula
C13H22N4O9S
Exact mass
410.1107
Mol weight
410.4002
Structure
Pathway
map00261  Monobactam biosynthesis
map01110  Biosynthesis of secondary metabolites
Other DBs
CAS: 113784-28-4
PubChem: 254741391
LinkDB
KCF data

ATOM        27
            1   N1b N    21.7369  -14.8143
            2   C1z C    22.9472  -15.5132
            3   C5x C    22.9472  -16.9102
            4   N1y N    24.3445  -16.9102
            5   C1y C    24.3445  -15.5132
            6   O5x O    21.9744  -17.8836
            7   S4a S    25.3194  -17.8848
            8   O2a O    22.9472  -14.1198
            9   C1a C    24.1191  -13.4433
            10  C5a C    20.5226  -15.5355
            11  C1c C    19.3159  -14.8388
            12  N1b N    18.1093  -15.5355
            13  C5a C    16.9026  -14.8388
            14  C1b C    15.6958  -15.5355
            15  C1b C    14.4892  -14.8388
            16  C1c C    13.2825  -15.5355
            17  O5a O    20.5311  -16.9286
            18  C1a C    19.3159  -13.4456
            19  O5a O    16.9026  -13.4455
            20  C6a C    12.0887  -14.8460
            21  N1a N    13.2824  -16.9286
            22  O6a O    10.9050  -15.5294
            23  O6a O    12.0886  -13.4457
            24  O1d O    26.3726  -18.8685
            25  O1d O    26.3726  -16.7620
            26  O1d O    24.3357  -18.9380
            27  C1a C    25.3287  -14.5292
BOND        27
            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
            27    5  27 1 #Up

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