KEGG   COMPOUND: C20927Help
Entry
C20927                      Compound                               

Name
Sulfazecin;
SQ 26445
Formula
C12H20N4O9S
Exact mass
396.0951
Mol weight
396.3736
Structure
Mol fileKCF fileDB search
Pathway
map00261  Monobactam biosynthesis
map01130  Biosynthesis of antibiotics
Other DBs
CAS: 77912-79-9
PubChem: 254741390
KCF data Show

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

» Japanese version

KEGG   COMPOUND: C16842Help
Entry
C16842                      Compound                               

Name
SQ 26180
Formula
C6H10N2O6S
Exact mass
238.026
Mol weight
238.2184
Structure
Mol fileKCF fileDB search
Pathway
map00261  Monobactam biosynthesis
map01130  Biosynthesis of antibiotics
Other DBs
PubChem: 96023366
ChEBI: 80766
ChEMBL: CHEMBL1205337
NIKKAJI: J39.232D
KCF data Show

ATOM        15
            1   C1z C    20.3000  -13.9300
            2   C5x C    20.3000  -15.3300
            3   C1x C    21.7000  -13.9300
            4   N1y N    21.7000  -15.3300
            5   O5x O    19.3101  -16.3199
            6   S4a S    22.6899  -16.3199
            7   O1d O    23.6799  -17.3099
            8   O1d O    21.7000  -17.3098
            9   O1d O    23.6798  -15.3300
            10  N1b N    19.3101  -12.9401
            11  O2a O    20.8358  -12.6366
            12  C5a C    17.9646  -13.3006
            13  C1a C    16.9873  -12.3230
            14  O5a O    17.6043  -14.6458
            15  C1a C    22.2427  -12.4508
BOND        15
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   4 1
            5     2   5 2
            6     4   6 1
            7     6   7 1
            8     6   8 2
            9     6   9 2
            10    1  10 1 #Up
            11    1  11 1
            12   10  12 1
            13   12  13 1
            14   12  14 2
            15   11  15 1

» Japanese version

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
map01130  Biosynthesis of antibiotics
Other DBs
CAS: 113784-28-4
PubChem: 254741391
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

» Japanese version

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