input word = C00051814

Metabolite InformationStructural formula
Name Echinomycin
Formula C51H64N12O12S2
Mw 1100.42080706
CAS RN 512-64-1
C_ID C00051814
InChIKey
InChICode InChI=1S/C51H64N12O12S2/c1-25(2)38-49(72)74-22-36(59-42(65)34-21-53-30-17-13-15-19-32(30)57-34)44(67)55-28(6)46(69)63(10)40-48(71)62(9)39(26(3)4)50(73)75-23-35(58-41(64)33-20-52-29-16-12-14-18-31(29)56-33)43(66)54-27(5)45(68)60(7)37(47(70)61(38)8)24-77-51(40)76-11/h12-21,25-28,35-40,51H,22-24H2,1-11H3,(H,54,66)(H,55,67)(H,58,64)(H,59,65)
SMILES C1(=O)C(N(C(=O)C2C(SCC(N(C(=O)C(NC(=O)C(NC(=O)c3cnc4c(n3)cccc4)CO1)C)C)C(=O)N(C(C(=O)OCC(C(=O)NC(C(=O)N2C)C)NC(=O)c1nc2c(nc1)cccc2)C(C)C)C)SC)C)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces griseovariabilis Ref.
BacteriaStreptomycetaceaeStreptomyces lasaliensis Ref.
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