input word = C00000752

Metabolite InformationStructural formula
Name Nosiheptide
Formula C51H43N13O12S6
Mw 1221.14783832
CAS RN 56377-79-8
C_ID C00000752 ,
InChIKey OQAOHXRUMXWDLQ-RIKCUYHPNA-N
InChICode InChI=1S/C51H43N13O12S6/c1-5-23-46-60-28(14-79-46)41(70)56-25-10-33(67)50(74)76-11-21-7-6-8-24-34(21)18(2)35(54-24)51(75)82-17-31(57-42(71)29-15-80-47(25)61-29)48-58-26(12-78-48)37-22(45-59-30(13-77-45)43(72)64-36(20(4)65)44(73)55-23)9-32(66)38(63-37)49-62-27(16-81-49)40(69)53-19(3)39(52)68/h5-9,12-16,20,25,31,33,36,54,65-67H,3,10-11,17H2,1-2,4H3,(H2,52,68)(H,53,69)(H,55,73)(H,56,70)(H,57,71)(H,64,72)/b23-5-/t20-,25+,31+,33+,36+/m1/s1
SMILES c1c2c(nc(c1O)c1scc(n1)C(=O)NC(=C)C(=O)N)c1csc([C@H]3NC(=O)c4nc(sc4)[C@H](C[C@@H](C(=O)OCc4c5c(c(C(=O)SC3)[nH]c5ccc4)C)O)NC(=O)c3nc(/C(=C/C)/NC(=O)[C@@H](NC(=O)c4csc2n4)[C@@H](C)O)sc3)n1
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Anthranilate
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces actuosus Ref.
zoom in