PCIDB

KNApSAcK Metabolite C00000778

Metabolite

KNApSAcK Entry

id C00000778
Name Isopenicillin N / Isopenicilline N
CAS RN 58678-43-6
Standard InChI 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
Standard InChI (Main Layer) 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)

Cluster

Phytochemical cluster
KCF-S cluster No. 2868

Link

ChEMBL

By standard InChI
By standard InChI Main Layer CHEMBL2023705

KEGG

By LinkDB C05557

CTD

By CAS RN