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
Enzyme
Other DBs
PubChem: 8796
LinkDB
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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