KEGG   COMPOUND: C06567
Entry
C06567                      Compound                               
Name
Penicilloic acid
Formula
C8H13N2O4SR
Structure
Comment
Generic compound in reaction hierarchy
Reaction
Pathway
map00311  Penicillin and cephalosporin biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
Other DBs
PubChem: 8796
KCF data

ATOM        16
            1   C1c C    18.6900  -17.5000
            2   C6a C    18.6900  -18.9000
            3   N1x N    20.0900  -18.9000
            4   C1y C    20.0900  -17.5000
            5   C1y C    21.4215  -19.3326
            6   C1z C    22.2444  -18.2000
            7   S2x S    21.4215  -17.0674
            8   N1b N    17.2900  -17.5000
            9   C1a C    23.2343  -17.2101
            10  C1a C    23.2343  -19.1899
            11  C6a C    21.8503  -20.6522
            12  O6a O    23.2094  -20.9411
            13  O6a O    20.9101  -21.6965
            14  O6a O    17.7800  -20.2300
            15  O6a O    17.2900  -18.9000
            16  R   R    16.5900  -16.2876
BOND        16
            1     1   2 1
            2     3   4 1
            3     1   4 1
            4     3   5 1
            5     5   6 1
            6     6   7 1
            7     4   7 1
            8     1   8 1 #Up
            9     6   9 1 #Up
            10    6  10 1 #Down
            11    5  11 1 #Down
            12   11  12 2
            13   11  13 1
            14    2  14 2
            15    2  15 1
            16    8  16 1

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