input word = C00018733

Metabolite InformationStructural formula
Name Quinomycin E
Formula C53H66N12O12S2
Mw 1126.43645712
CAS RN 14222-15-2
C_ID C00018733 ,
InChIKey WCOWXZGKUDQRDS-UHFFFAOYNA-N
InChICode InChI=1S/C53H66N12O12S2/c1-12-28(4)40-48(72)76-23-38(60-42(66)36-21-54-32-17-13-15-19-34(32)58-36)44(68)56-31(7)47(71)65(11)53-26-78-52(25-79-53,50(74)62(40)8)64(10)46(70)30(6)57-45(69)39(24-77-49(73)41(29(5)27(2)3)63(9)51(53)75)61-43(67)37-22-55-33-18-14-16-20-35(33)59-37/h13-22,27-31,38-41H,12,23-26H2,1-11H3,(H,56,68)(H,57,69)(H,60,66)(H,61,67)/t28-,29+,30+,31+,38-,39-,40+,41+,52+,53+/m1/s1
SMILES CCC(C)C1C(=O)OCC(NC(=O)c2cnc3ccccc3n2)C(=O)NC(C)C(=O)N(C)C23CSC(CS2)(C(=O)N1C)N(C)C(=O)C(C)NC(=O)C(NC(=O)c1cnc2ccccc2n1)COC(=O)C(C(C)C(C)C)N(C)C3=O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. redembling S. Aureus Ref.
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