KEGG   COMPOUND: C20815Help
Entry
C20815                      Compound                               

Name
MM 4550
Formula
C13H16N2O9S2
Exact mass
408.0297
Mol weight
408.4041
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00332  Carbapenem biosynthesis
map01130  Biosynthesis of antibiotics
Enzyme
1.14.20.-
Other DBs
PubChem: 254741281
KCF data Show

ATOM        26
            1   N1y N    12.9250  -16.5550
            2   C1y C    12.9250  -15.1605
            3   C2y C    14.2552  -16.9808
            4   C5x C    11.5190  -16.5666
            5   C1y C    11.5190  -15.1605
            6   C1x C    14.2493  -14.7346
            7   C2y C    15.0721  -15.8548
            8   C6a C    14.6927  -18.3110
            9   O5x O    10.5153  -17.5527
            10  C1c C    10.2997  -14.4546
            11  S4a S    16.4721  -15.8548
            12  O6a O    16.0580  -18.5970
            13  O6a O    13.7593  -19.3495
            14  O2a O     9.0919  -15.1547
            15  C1a C    10.2938  -13.0544
            16  C2b C    17.6740  -15.1547
            17  C2b C    18.8818  -15.8431
            18  N1b N    20.0894  -15.1490
            19  C5a C    21.2866  -15.8436
            20  C1a C    22.5097  -15.1407
            21  O5a O    21.2830  -17.2708
            22  S4a S     7.6919  -15.1547
            23  O1d O     6.2919  -15.1547
            24  O1d O     7.6919  -13.7547
            25  O1d O     7.6919  -16.5547
            26  O1d O    16.8265  -17.1684
BOND        27
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    7  11 1
            11    8  12 1
            12    8  13 2
            13   10  14 1
            14   10  15 1 #Up
            15   11  16 1
            16   16  17 2
            17   17  18 1
            18    4   5 1
            19    6   7 1
            20   18  19 1
            21   19  20 1
            22   19  21 2
            23   14  22 1
            24   22  23 1
            25   22  24 2
            26   22  25 2
            27   11  26 2

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