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CHEBI:220205 - Thiazomycin E3

ChEBI IDCHEBI:220205
ChEBI NameThiazomycin E3
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SubmitterMetaboLights
DownloadsMolfile
FormulaC38H35N11O13S5
Net Charge0
Average Mass1014.097
Monoisotopic Mass1013.10194
SMILESCOC(C)=C1NC(=O)[C@H]([C@@H](C)O)NC(=O)c2csc(n2)-c2cc(O)c(-c3nc(C(N)=O)cs3)nc2-c2csc(n2)[C@H](CO)NC(=O)c2csc(n2)[C@H]([C@H](O)[C@H](O)C(=O)O)NC(=O)c2csc1n2
InChIInChI=1S/C38H35N11O13S5/c1-11(51)21-32(59)48-22(12(2)62-3)35-44-19(10-66-35)31(58)49-25(26(53)27(54)38(60)61)37-45-17(9-67-37)29(56)40-14(5-50)34-41-15(6-64-34)23-13(33-43-18(8-63-33)30(57)47-21)4-20(52)24(46-23)36-42-16(7-65-36)28(39)55/h4,6-11,14,21,25-27,50-54H,5H2,1-3H3,(H2,39,55)(H,40,56)(H,47,57)(H,48,59)(H,49,58)(H,60,61)/t11-,14+,21+,25+,26+,27+/m1/s1
InChIKeyJOFGHASJDDDCJI-QEIUBEKMSA-N
Species of MetaboliteComponentSourceComments
Actinokineospora fastidiosa (ncbitaxon:1816) - PubMed (19334707)
ChEBI Ontology
Outgoing Relation(s)
Thiazomycin E3 (CHEBI:220205) is a thiazoles (CHEBI:48901)
IUPAC Name 
(2S,3S)-3-[(12S,19S,29S)-5-(4-carbamoyl-1,3-thiazol-2-yl)-4-hydroxy-29-[(1R)-1-hydroxyethyl]-12-(hydroxymethyl)-26-(1-methoxyethylidene)-14,21,28,31-tetraoxo-10,17,24,34-tetrathia-6,13,20,27,30,35,36,37,38-nonazahexacyclo[30.2.1.18,11.115,18.122,25.02,7]octatriaconta-1(35),2,4,6,8,11(38),15,18(37),22,25(36),32-undecaen-19-yl]-2,3-dihydroxypropanoic acid
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