input word = C00016094

Metabolite InformationStructural formula
Name Naphthomycin I
Formula C45H54N2O12S
Mw 846.33974594
CAS RN 214482-80-1
C_ID C00016094 ,
InChIKey YWGUQBLAJYVMGL-VEQKAHFKNA-N
InChICode InChI=1S/C45H54N2O12S/c1-22-12-10-9-11-13-25(4)44(57)47-37-41(55)31-19-28(7)40(54)36(35(31)42(56)43(37)60-21-32(45(58)59)46-29(8)48)39(53)27(6)18-26(5)38(52)24(3)15-17-30(49)16-14-23(2)34(51)20-33(22)50/h9-15,17-19,22,24,26,30,32-33,38,49-50,52,54H,16,20-21H2,1-8H3,(H,46,48)(H,47,57)(H,58,59)/b11-9-,12-10+,17-15+,23-14+,25-13-,27-18+/t22-,24-,26-,30-,32-,33-,38-/m0/s1
SMILES CC(=O)N[C@@H](CSC1=C2NC(=O)/C(C)=CC=C/C=C/[C@H](C)[C@@H](O)CC(=O)/C(C)=C/C[C@H](O)/C=C/[C@H](C)[C@H](O)[C@@H](C)/C=C(C)C(=O)c3c(O)c(C)cc(c3C1=O)C2=O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. E/784 Ref.
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