input word = C00041314

Metabolite InformationStructural formula
Name Actinomycin G4
Formula C61H84N12O17
Mw 1256.60773935
CAS RN 910780-94-8
C_ID C00041314 ,
InChIKey GIGMLGIDQHFTEK-UHFFFAOYNA-N
InChICode InChI=1S/C61H84N12O17/c1-25(2)41-57(83)72-21-17-18-35(72)56(82)68(13)23-37(75)70(15)31(10)60(86)88-32(11)44(55(81)64-41)67-53(79)39-40(62)49(77)30(9)51-46(39)63-45-34(20-19-28(7)50(45)90-51)52(78)66-43-33(12)89-61(87)47(27(5)6)71(16)38(76)24-69(14)59(85)48-36(74)22-29(8)73(48)58(84)42(26(3)4)65-54(43)80/h19-20,25-27,29,31-33,35-36,41-44,47-48,74H,17-18,21-24,62H2,1-16H3,(H,64,81)(H,65,80)(H,66,78)(H,67,79)/t29-,31+,32-,33-,35-,36+,41-,42+,43-,44-,47+,48+/m1/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)N[C@H]1C(=O)N[C@@H](C(=O)N3[C@@H](C(=O)N(CC(=O)N([C@H](C(=O)O[C@@H]1C)C)C)C)CCC3)C(C)C)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