KEGG   COMPOUND: C06564Help
Entry
C06564                      Compound                               

Name
Penicillin N;
Adicillin
Formula
C14H21N3O6S
Exact mass
359.1151
Mol weight
359.398
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00311  Penicillin and cephalosporin biosynthesis
map01100  Metabolic pathways
map01130  Biosynthesis of antibiotics
Module
M00673  Cephamycin C biosynthesis, aminoadipate + cycteine + valine => cephamycin C
Enzyme
1.14.20.1       5.1.1.17
Other DBs
CAS: 525-94-0
PubChem: 8793
ChEBI: 18203
ChEMBL: CHEMBL2023705
KNApSAcK: C00000780
3DMET: B02069
NIKKAJI: J9.767E
KCF data Show

ATOM        24
            1   N1y N    28.3532  -17.4307
            2   C1y C    28.3532  -16.0873
            3   C5x C    27.0098  -17.4366
            4   C1y C    27.0098  -16.0932
            5   O5x O    26.0403  -18.3828
            6   N1b N    25.6547  -16.0815
            7   C5a C    24.4573  -16.7648
            8   C1b C    23.2540  -16.0756
            9   O5a O    24.4457  -18.1492
            10  C1b C    22.0626  -16.7648
            11  C1b C    20.8710  -16.0756
            12  C1c C    19.6678  -16.7648
            13  C6a C    18.4762  -16.0756
            14  N1a N    19.6619  -18.1492
            15  O6a O    17.2847  -16.7648
            16  O6a O    18.4704  -14.6914
            17  C1y C    29.6309  -17.8458
            18  C1z C    30.4205  -16.7590
            19  S2x S    29.6309  -15.6721
            20  C1a C    31.4104  -15.7690
            21  C1a C    31.6329  -17.4590
            22  C6a C    30.0626  -19.1748
            23  O6a O    31.4018  -19.4597
            24  O6a O    29.1089  -20.2343
BOND        25
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 2
            5     4   6 1 #Up
            6     6   7 1
            7     7   8 1
            8     7   9 2
            9     8  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   12  14 1 #Up
            14   13  15 1
            15   13  16 2
            16    3   4 1
            17    1  17 1
            18   17  18 1
            19   18  19 1
            20    2  19 1
            21   18  20 1 #Up
            22   18  21 1 #Down
            23   17  22 1 #Down
            24   22  23 2
            25   22  24 1

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