KEGG   COMPOUND: C02954
Entry
C02954                      Compound                               
Name
6-Aminopenicillanate;
6-Aminopenicillanic acid
Formula
C8H12N2O3S
Exact mass
216.0569
Mol weight
216.26
Structure
Reaction
R02170 R04103
Pathway
map00311  Penicillin and cephalosporin biosynthesis
map01110  Biosynthesis of secondary metabolites
map07011  Penicillins
map07012  Cephalosporins - parenteral agents
Enzyme
3.5.1.11
Other DBs
CAS: 551-16-6
PubChem: 5872
ChEBI: 16705 30938
PDB-CCD: X1E[PDBj]
NIKKAJI: J14.224G J38.373B
LinkDB
KCF data

ATOM        14
            1   C1y C    11.9525  -15.0802
            2   C5x C    11.9525  -16.4851
            3   N1y N    13.3573  -16.4851
            4   C1y C    13.3573  -15.0802
            5   C1y C    14.6918  -16.9064
            6   C1z C    15.5345  -15.7825
            7   S2x S    14.6918  -14.6587
            8   C1a C    16.5180  -16.7659
            9   C1a C    16.5180  -14.7992
            10  C6a C    15.1834  -18.2409
            11  O6a O    16.5881  -18.2409
            12  O6a O    14.3405  -19.3646
            13  N1a N    10.7584  -14.3778
            14  O5x O    10.7584  -17.1874
BOND        15
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     1   4 1
            5     3   5 1
            6     5   6 1
            7     6   7 1
            8     4   7 1
            9     6   8 1
            10    6   9 1
            11    5  10 1 #Down
            12   10  11 1
            13   10  12 2
            14    1  13 1 #Up
            15    2  14 2

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