KEGG   COMPOUND: C17399
Entry
C17399                      Compound                               

Name
Epithienamycin F
Formula
C13H18N2O8S2
Exact mass
394.0505
Mol weight
394.4206
Structure
Reaction
Pathway
map00332  Carbapenem biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
1.14.20.-       2.3.1.-
Other DBs
CAS: 79057-45-7
PubChem: 96023752
ChEBI: 81061
ChEMBL: CHEMBL1205319
KNApSAcK: C00018220
NIKKAJI: J2.806.288E
KCF data

ATOM        25
            1   N1y N    30.8978  -30.6748
            2   C1y C    30.8978  -29.2727
            3   C2y C    32.2298  -31.0953
            4   C5x C    29.4957  -30.6806
            5   C1y C    29.4957  -29.2727
            6   C1x C    32.2239  -28.8462
            7   C2y C    33.0476  -29.9678
            8   C6a C    32.6679  -32.4273
            9   O5x O    28.4849  -31.6680
            10  C1c C    28.2746  -28.5716
            11  S2a S    34.4497  -29.9678
            12  O6a O    34.0350  -32.7136
            13  O6a O    31.7332  -33.4672
            14  O2a O    27.0596  -29.2668
            15  C1a C    28.2630  -27.1636
            16  C1b C    35.6564  -29.2684
            17  C1b C    36.8635  -29.9673
            18  N1b N    38.0706  -29.2684
            19  C5a C    39.2777  -29.9673
            20  C1a C    40.4891  -29.2700
            21  O5a O    39.2761  -31.3650
            22  S4a S    25.6605  -29.2613
            23  O1d O    24.2627  -29.2613
            24  O1d O    25.7235  -27.8636
            25  O1d O    25.7235  -30.6591
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 1
            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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