KEGG   COMPOUND: C11755
Entry
C11755                      Compound                               

Name
Epithienamycin E;
MM13902
Formula
C13H16N2O8S2
Exact mass
392.0348
Mol weight
392.4047
Structure
Reaction
Pathway
map00332  Carbapenem biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
1.14.20.-
Other DBs
CAS: 79057-46-8
PubChem: 13919
ChEBI: 91030
KNApSAcK: C00018092
NIKKAJI: J23.015D
KCF data

ATOM        25
            1   N1y N    26.5578  -19.8948
            2   C1y C    26.5578  -18.4927
            3   C2y C    27.8898  -20.3153
            4   C5x C    25.1557  -19.9006
            5   C1y C    25.1557  -18.4927
            6   C1x C    27.8839  -18.0662
            7   C2y C    28.7076  -19.1878
            8   C6a C    28.3279  -21.6473
            9   O5x O    24.1449  -20.8880
            10  C1c C    23.9346  -17.7916
            11  S2a S    30.1097  -19.1878
            12  O6a O    29.6950  -21.9336
            13  O6a O    27.3932  -22.6872
            14  O2a O    22.7196  -18.4868
            15  C1a C    23.9230  -16.3836
            16  C2b C    31.3164  -18.4884
            17  C2b C    32.5235  -19.1873
            18  N1b N    33.7306  -18.4884
            19  C5a C    34.9377  -19.1873
            20  C1a C    36.1491  -18.4900
            21  O5a O    34.9361  -20.5850
            22  S4a S    21.3205  -18.4813
            23  O1d O    19.9227  -18.4813
            24  O1d O    21.3835  -17.0836
            25  O1d O    21.3835  -19.8791
BOND        26
            1     8  12 1
            2     8  13 2
            3    10  14 1
            4    10  15 1 #Up
            5     4   5 1
            6     6   7 1
            7     1   2 1
            8    11  16 1
            9     1   3 1
            10   16  17 2
            11    1   4 1
            12   17  18 1
            13    2   5 1
            14   18  19 1
            15    2   6 1
            16   19  20 1
            17    3   7 2
            18   19  21 2
            19    3   8 1
            20   14  22 1
            21    4   9 2
            22   22  23 1
            23    5  10 1
            24   22  24 2
            25    7  11 1
            26   22  25 2

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