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 c1ccc2c3c1[nH]c1c3CO[C@H]([C@@H](C(=O)OC2)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)N(C)C)(C)O)[C@H]2c3nc(C(=O)N[C@@H](COC1=O)c1nc(cs1)c1c(cc(c(n1)c1scc(n1)C(=O)NC(=C)C(=O)N)O)c1nc(C(=O)N[C@@H](C(=O)N/C(=C(/OC)\C)/c4scc(C(=O)N2)n4)[C@@H](O)C)cs1)cs3
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
BacteriaNocardiaceaeNocardia sp. WW-12651(ATCC 202099) Ref.
BacteriaPseudonocardiaceaeAmycolatopsis fastidiosa Ref.
zoom in