KEGG   COMPOUND: C05557Help
Entry
C05557                      Compound                               

Name
Isopenicillin N
Formula
C14H21N3O6S
Exact mass
359.1151
Mol weight
359.398
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Penicillin and cephalosporin biosynthesis
Metabolic pathways
Biosynthesis of antibiotics
Module
M00672  
Penicillin biosynthesis, aminoadipate + cycteine + valine => penicillin
M00673  
Cephamycin C biosynthesis, aminoadipate + cycteine + valine => cephamycin C
Enzyme
1.21.3.1        2.3.1.164       5.1.1.17
Other DBs
PubChem: 
ChEBI: 
KNApSAcK: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        24
            1   N1y N    28.3691  -17.5113
            2   C1y C    28.3633  -16.1625
            3   C5x C    27.0260  -17.5113
            4   C1y C    27.0203  -16.1682
            5   O5x O    26.0567  -18.4574
            6   N1b N    25.6655  -16.1565
            7   C5a C    24.4684  -16.8399
            8   C1b C    23.2713  -16.1508
            9   O5a O    24.5325  -18.2238
            10  C1b C    22.0742  -16.8399
            11  C1b C    20.8828  -16.1508
            12  C1c C    19.6858  -16.8399
            13  C6a C    18.4886  -16.1508
            14  N1a N    19.6741  -18.2238
            15  O6a O    17.2915  -16.8339
            16  O6a O    18.4946  -14.7668
            17  C1y C    29.6536  -17.9225
            18  C1z C    30.4417  -16.8280
            19  S2x S    29.6443  -15.7402
            20  C1a C    31.4317  -15.8380
            21  C1a C    31.4317  -17.8179
            22  C6a C    30.0936  -19.2575
            23  O6a O    31.4936  -19.2575
            24  O6a O    29.2789  -20.3839
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 #Down
            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
            22   18  21 1
            23   17  22 1 #Down
            24   22  23 2
            25   22  24 1

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