input word = C00000778

Metabolite InformationStructural formula
Name Isopenicillin N
Isopenicilline N
Formula C14H21N3O6S
Mw 359.11510616
CAS RN 58678-43-6
C_ID C00000778 ,
InChIKey MIFYHUACUWQUKT-IDWQOJKUNA-N
InChICode InChI=1S/C14H21N3O6S/c1-14(2)9(13(22)23)17-10(19)8(11(17)24-14)16-7(18)5-3-4-6(15)12(20)21/h6,8-9,11H,3-5,15H2,1-2H3,(H,16,18)(H,20,21)(H,22,23)/t6-,8+,9-,11+/m0/s1
SMILES [C@@H](CCCC(=O)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)O)(C)C)(N)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Arg
Organism
Kingdom Family Species Reference
BacteriaFlavobacteriaceaeFlavobacterium sp. Ref.
BacteriaNocardiaceaeNocardia lactamdurans Ref.
BacteriaStreptomycetaceaeStreptomyces clavuligerus Ref.
FungiTrichocomaceaeAspergillus nidulans Ref.
--Cephalosporium acremonium Ref.
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OrganismStreptomyces clavuligerus
ReferenceSamson,Nature,318,(1985),191

Carr,Gene,48,(1986),257

Kriauciunas,J.Biol.Chem,266,(1991),11 779

Baldwin,tetrahedron,47,(1991),5991

Duraijai,J.Ind.Microbiol,16,(1996),197