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CHEBI:66219 - thiazomycin

ChEBI IDCHEBI:66219
ChEBI Namethiazomycin
Stars
DefinitionA heterodetic cyclic peptide isolated from Amycolatopsis fastidiosa.
Last Modified28 October 2014
DownloadsMolfile
FormulaC61H58N14O18S5
Net Charge0
Average Mass1435.550
Monoisotopic Mass1434.26571
SMILES[H][C@]1(O[C@@H]2C(=O)OCc3cccc4c3c3c(n4O)C(=O)OC[C@@H]4NC(=O)c5csc(n5)[C@@H](NC(=O)c5csc(n5)/C(=C(/C)OC)NC(=O)[C@H]([C@@H](C)O)NC(=O)c5csc(n5)-c5cc(O)c(-c6nc(C(=O)NC(=C)C(N)=O)cs6)nc5-c5csc4n5)[C@@H]2OC3)C[C@]2(C)OCN(C)[C@]2([H])[C@H](C)O1
InChIInChI=1S/C61H58N14O18S5/c1-22(48(62)78)63-49(79)31-18-97-57(68-31)42-36(77)11-27-41(70-42)30-16-95-55(65-30)29-15-90-59(84)44-28-14-88-45(46(60(85)89-13-26-9-8-10-35(38(26)28)75(44)86)93-37-12-61(5)47(25(4)92-37)74(6)21-91-61)43(58-69-32(19-98-58)50(80)64-29)73-52(82)34-20-96-56(67-34)40(24(3)87-7)72-53(83)39(23(2)76)71-51(81)33-17-94-54(27)66-33/h8-11,16-20,23,25,29,37,39,43,45-47,76-77,86H,1,12-15,21H2,2-7H3,(H2,62,78)(H,63,79)(H,64,80)(H,71,81)(H,72,83)(H,73,82)/b40-24+/t23-,25+,29+,37+,39+,43+,45+,46+,47-,61+/m1/s1
InChIKeyGYOHFSLEKIIJMU-UMNFMQIXSA-N
Species of MetaboliteComponentSourceComments
Amycolatopsis fastidiosa (ncbitaxon:1816) - PubMed (17917239)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
ChEBI Ontology
Outgoing Relation(s)
thiazomycin (CHEBI:66219) has role antibacterial agent (CHEBI:33282)
thiazomycin (CHEBI:66219) has role antimicrobial agent (CHEBI:33281)
thiazomycin (CHEBI:66219) has role bacterial metabolite (CHEBI:76969)
thiazomycin (CHEBI:66219) is a heterodetic cyclic peptide (CHEBI:24533)
Registry NumbersSources
Reaxys:12681378Reaxys
Citations