input word = C00014906

Metabolite InformationStructural formula
Name Nocathiacin II
Nocathiacine II
Formula C61H60N14O17S5
Mw 1420.28644025
CAS RN 256230-46-3
C_ID C00014906 ,
InChIKey LKZVTFMHIPKLAI-BKATUZMVNA-N
InChICode InChI=1S/C61H60N14O17S5/c1-22(48(62)78)63-49(79)32-19-96-57(69-32)43-36(77)12-27-41(71-43)31-17-94-55(66-31)30-16-90-59(84)42-28-15-88-45(46(60(85)89-14-26-10-9-11-29(64-42)38(26)28)92-37-13-61(5,86)47(75(6)7)25(4)91-37)44(58-70-33(20-97-58)50(80)65-30)74-52(82)35-21-95-56(68-35)40(24(3)87-8)73-53(83)39(23(2)76)72-51(81)34-18-93-54(27)67-34/h9-12,17-21,23,25,30,37,39,44-47,64,76-77,86H,1,13-16H2,2-8H3,(H2,62,78)(H,63,79)(H,65,80)(H,72,81)(H,73,83)(H,74,82)/b40-24+/t23-,25-,30-,37-,39+,44-,45-,46-,47-,61+/m0/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)c4[nH]c5cccc6c5c4COC2C(OC2CC(C)(O)C(N(C)C)C(C)O2)C(=O)OC6)c2nc-3cs2)n1)C(N)=O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
BacteriaNocardiaceaeNocardia sp. WW-12651(ATCC 202099) Ref.
BacteriaPseudonocardiaceaeAmycolatopsis fastidiosa Ref.
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OrganismNocardia sp. WW-12651(ATCC 202099)
ReferenceLi,J.Antibiotics 56,(2003),226