KEGG   COMPOUND: C20928Help
Entry
C20928                      Compound                               

Name
MM 42842
Formula
C13H22N4O9S
Exact mass
410.1107
Mol weight
410.4002
Structure
Mol fileKCF fileDB search
Pathway
map00261  Monobactam biosynthesis
map01110  Biosynthesis of secondary metabolites
map01130  Biosynthesis of antibiotics
Other DBs
CAS: 113784-28-4
PubChem: 254741391
LinkDB All DBs
KCF data Show

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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