input word = C00016103

Metabolite InformationStructural formula
Name Actamycin
NSC 381101
Formula C39H45NO10
Mw 687.30434667
CAS RN 76045-67-5
C_ID C00016103 ,
InChIKey ODRXJBTZWPWLEA-JUDJKKJRNA-N
InChICode InChI=1S/C39H45NO10/c1-20-11-9-7-8-10-12-30(44)40-33-37(48)27-18-25(6)36(47)32(31(27)38(49)39(33)50)35(46)24(5)17-23(4)34(45)22(3)14-16-26(41)15-13-21(2)29(43)19-28(20)42/h7-14,16-18,20,22-23,26,28,34,41-42,45,47,50H,15,19H2,1-6H3,(H,40,44)/b8-7-,11-9+,12-10-,16-14+,21-13+,24-17+/t20-,22-,23-,26-,28-,34-/m0/s1
SMILES C\1=C(\C)/C(=O)C[C@@H]([C@H](/C=C/C=C\C=C/C(=O)NC2=C(C(=O)c3c(C2=O)cc(C)c(c3C(=O)/C(=C/[C@@H]([C@H]([C@H](/C=C/[C@H](C1)O)C)O)C)/C)O)O)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Asp
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. E/784 Ref.
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