input word = C00018480

Metabolite InformationStructural formula
Name N-Acetylisopenicillin N
Formula C16H23N3O7S
Mw 401.12567084
CAS RN 94040-19-4
C_ID C00018480 ,
InChIKey YQOJKNZHJAWIBN-SUIBYMOGNA-N
InChICode InChI=1S/C16H23N3O7S/c1-7(20)17-8(14(23)24)5-4-6-9(21)18-10-12(22)19-11(15(25)26)16(2,3)27-13(10)19/h8,10-11,13H,4-6H2,1-3H3,(H,17,20)(H,18,21)(H,23,24)(H,25,26)/t8-,10+,11-,13+/m0/s1
SMILES [C@@H]12N([C@H](C(S1)(C)C)C(=O)O)C(=O)[C@H]2NC(=O)CCC[C@@H](C(=O)O)NC(=O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Arg
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces tokunonensis sp. nov. Ref.
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