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 c1ccc2c3c1n(c1c3CO[C@@H]([C@@H](C(=O)OC2)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)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaNocardiaceaeNocardia sp. WW-12651(ATCC 202099) Ref.
BacteriaPseudonocardiaceaeAmycolatopsis fastidiosa Ref.
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OrganismAmycolatopsis fastidiosa
ReferenceZhang,J.Nat.Prod.,72,(2009),841