input word = C00048198

Metabolite InformationStructural formula
Name Thiazomycin A
Formula C62H60O14O18S5
Mw 1476.16712348
CAS RN 905978-04-3
C_ID C00048198 ,
InChIKey LPGAAUZJQIRAAG-JBZNKQRINA-N
InChICode InChI=1S/C62H60N14O18S5/c1-22(49(63)79)64-50(80)32-19-98-58(69-32)43-37(78)12-28-42(71-43)31-17-96-56(66-31)30-16-91-60(85)45-29-15-89-46(47(61(86)90-14-27-10-9-11-36(39(27)29)76(45)87)93-38-13-62(6)48(25(4)92-38)75(7)26(5)94-62)44(59-70-33(20-99-59)51(81)65-30)74-53(83)35-21-97-57(68-35)41(24(3)88-8)73-54(84)40(23(2)77)72-52(82)34-18-95-55(28)67-34/h9-12,17-21,23,25-26,30,38,40,44,46-48,77-78,87H,1,13-16H2,2-8H3,(H2,63,79)(H,64,80)(H,65,81)(H,72,82)(H,73,84)(H,74,83)/b41-24+/t23-,25-,26-,30+,38+,40+,44+,46-,47-,48-,62-/m1/s1
SMILES c12cc(c(nc1c1csc(n1)[C@H]1NC(=O)c3nc(sc3)[C@@H](NC(=O)c3nc(/C(=C(\OC)/C)/NC(=O)[C@@H](NC(=O)c4nc2sc4)[C@@H](C)O)sc3)[C@H]2OCc3c(C(=O)OC1)n(c1c3c(ccc1)COC(=O)[C@@H]2O[C@H]1C[C@@]2([C@@H]([C@H](O1)C)N([C@H](O2)C)C)C)O)c1scc(n1)C(=O)NC(=C)C(=O)N)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
BacteriaPseudonocardiaceaeAmycolatopsis fastidiosa Ref.
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OrganismAmycolatopsis fastidiosa
ReferenceZhang,J.Nat.Prod.,72,(2009),841