input word = C00017531

Metabolite InformationStructural formula
Name Thioxamycin
Formula C52H48N16O15S4
Mw 1264.2367879
CAS RN 124883-37-0
C_ID C00017531 ,
InChIKey GATPMIKWKVOBMF-UHFFFAOYNA-N
InChICode InChI=1S/C52H48N16O15S4/c1-19(38(70)55-20(2)41(73)60-25(7)52(80)81)54-39(71)21(3)56-43(75)28-11-10-27-37(62-28)29-13-82-48(64-29)23(5)58-40(72)22(4)57-45(77)32-17-86-50(66-32)24(6)59-44(76)31-16-85-35(61-31)12-53-42(74)30-14-83-49(65-30)34(15-84-9)63-47(79)36(26(8)69)68-46(78)33-18-87-51(27)67-33/h10-11,13-14,16-18,24,26,34,36,69H,1-5,7,12,15H2,6,8-9H3,(H,53,74)(H,54,71)(H,55,70)(H,56,75)(H,57,77)(H,58,72)(H,59,76)(H,60,73)(H,63,79)(H,68,78)(H,80,81)/t24-,26+,34+,36+/m0/s1
SMILES c1sc2CNC(=O)c3nc([C@H](NC(=O)[C@H](NC(=O)c4nc(c5c(nc(cc5)C(=O)NC(=C)C(=O)NC(=C)C(=O)NC(=C)C(=O)NC(=C)C(=O)O)c5nc(C(=C)NC(=O)C(=C)NC(=O)c6nc([C@@H](NC(=O)c1n2)C)sc6)oc5)sc4)[C@H](O)C)CSC)oc3
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. PA-46025 Ref.
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OrganismStreptomyces sp. PA-46025
ReferenceMatsumoto,J.Antibiotics,42,(1989),1465