input word = C00018694

Metabolite InformationStructural formula
Name Quinomycin C
Antibiotic U 48160
Formula C55H72N12O12S2
Mw 1156.48340731
CAS RN 11001-74-4
C_ID C00018694 ,
InChIKey WNYOPINACXXCOV-UHFFFAOYNA-N
InChICode InChI=1S/C55H72N12O12S2/c1-27(2)29(5)42-53(76)78-24-40(63-46(69)38-23-57-34-19-15-17-21-36(34)61-38)48(71)59-32(8)50(73)67(12)44-52(75)66(11)43(30(6)28(3)4)54(77)79-25-39(62-45(68)37-22-56-33-18-14-16-20-35(33)60-37)47(70)58-31(7)49(72)64(9)41(51(74)65(42)10)26-81-55(44)80-13/h14-23,27-32,39-44,55H,24-26H2,1-13H3,(H,58,70)(H,59,71)(H,62,68)(H,63,69)/t29-,30+,31-,32+,39-,40+,41-,42+,43-,44-,55-/m1/s1
SMILES c12c(nc(cn1)C(=O)N[C@@H]1COC(=O)[C@H](N(C(=O)[C@@H]3[C@@H](SC[C@@H](N(C(=O)[C@H](NC1=O)C)C)C(=O)N([C@H](C(=O)OC[C@@H](C(=O)N[C@H](C(=O)N3C)C)NC(=O)c1nc3c(nc1)cccc3)[C@H](C)C(C)C)C)SC)C)[C@@H](C)C(C)C)cccc2
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces No. 732 Ref.
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