KEGG   COMPOUND: C20815
Entry
C20815                      Compound                               

Name
MM 4550
Formula
C13H16N2O9S2
Exact mass
408.0297
Mol weight
408.4041
Structure
Reaction
Pathway
map00332  Carbapenem biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
1.14.20.-
Other DBs
PubChem: 254741281
KCF data

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

» Japanese version

DBGET integrated database retrieval system