input word = C00014907

Metabolite InformationStructural formula
Name Nocathiacin III
Nocathiacine III
Formula C52H43N13O16S5
Mw 1265.15542607
CAS RN 256230-47-4
C_ID C00014907 ,
InChIKey XYPCGIXYXJYRSJ-HNSNBQBZNA-N
InChICode InChI=1S/C52H43N13O16S5/c1-17(40(53)69)54-41(70)25-14-85-49(59-25)35-30(67)8-21-34(61-35)24-12-83-47(56-24)23-11-81-51(75)37-22-10-79-39(38(68)52(76)80-9-20-6-5-7-29(31(20)22)65(37)77)36(50-60-26(15-86-50)42(71)55-23)64-44(73)28-16-84-48(58-28)33(19(3)78-4)63-45(74)32(18(2)66)62-43(72)27-13-82-46(21)57-27/h5-8,12-16,18,23,32,36,38-39,66-68,77H,1,9-11H2,2-4H3,(H2,53,69)(H,54,70)(H,55,71)(H,62,72)(H,63,74)(H,64,73)/b33-19+/t18-,23+,32+,36+,38+,39-/m1/s1
SMILES C=C(NC(=O)c1csc(-c2nc3c(cc2O)-c2nc(cs2)C(=O)NC(C(C)O)C(=O)N/C(=C(C)OC)c2nc(cs2)C(=O)NC2c4nc(cs4)C(=O)NC(COC(=O)c4c5c6c(cccc6n4O)COC(=O)C(O)C2OC5)c2nc-3cs2)n1)C(N)=O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaNocardiaceaeNocardia sp. WW-12651(ATCC 202099) Ref.
BacteriaPseudonocardiaceaeAmycolatopsis fastidiosa Ref.
zoom in