input word = C00041316

Metabolite InformationStructural formula
Name Actinomycin G6
Formula C61H84N12O18
Mw 1272.60265397
CAS RN 910780-97-1
C_ID C00041316 ,
InChIKey KTDUETWVXTYQEE-UHFFFAOYNA-N
InChICode InChI=1S/C61H84N12O18/c1-25(2)41-57(84)72-20-16-17-34(72)56(83)68(12)22-37(76)70(14)31(10)52(79)67-45(55(82)64-41)36(75)24-89-60(87)39-40(62)49(78)30(9)51-46(39)63-44-33(19-18-28(7)50(44)91-51)53(80)66-43-32(11)90-61(88)47(27(5)6)71(15)38(77)23-69(13)59(86)48-35(74)21-29(8)73(48)58(85)42(26(3)4)65-54(43)81/h18-19,25-27,29,31-32,34-36,41-43,45,47-48,74-75H,16-17,20-24,62H2,1-15H3,(H,64,82)(H,65,81)(H,66,80)(H,67,79)/t29-,31-,32+,34-,35+,36+,41-,42+,43+,45+,47-,48+/m0/s1
SMILES [C@H]1(N(C(=O)CN(C(=O)[C@@H]2N(C(=O)[C@H](NC(=O)[C@@H]([C@H](OC1=O)C)NC(=O)c1ccc(c3c1nc1c(o3)c(c(=O)c(c1C(=O)OC[C@H]([C@@H]1C(=O)N[C@H](C(=O)N3[C@H](C(=O)N(CC(=O)N([C@H](C(=O)N1)C)C)C)CCC3)C(C)C)O)N)C)C)C(C)C)[C@H](C[C@H]2O)C)C)C)C(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces iakyrus DSM41873 Ref.
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OrganismStreptomyces iakyrus DSM41873
ReferenceBitzer,J.Nat.Prod.,69,(2006),1153