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CHEBI:218428 - Cystothiazole E

ChEBI IDCHEBI:218428
ChEBI NameCystothiazole E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22N2O2S2
Net Charge0
Average Mass350.509
Monoisotopic Mass350.11227
SMILESCO[C@@H](/C=C/c1csc(-c2csc(C(C)C)n2)n1)[C@@H](C)C(C)=O
InChIInChI=1S/C17H22N2O2S2/c1-10(2)16-19-14(9-23-16)17-18-13(8-22-17)6-7-15(21-5)11(3)12(4)20/h6-11,15H,1-5H3/b7-6+/t11-,15-/m0/s1
InChIKeyDYTYLMNUPWHHGQ-GYCFJXGYSA-N
Species of MetaboliteComponentSourceComments
Cystobacter fuscus (ncbitaxon:43) - DOI (10.1016/s0040-4020(98)00694-2)
ChEBI Ontology
Outgoing Relation(s)
Cystothiazole E (CHEBI:218428) is a thiazoles (CHEBI:48901)
IUPAC Name 
(E,3R,4S)-4-methoxy-3-methyl-6-[2-(2-propan-2-yl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]hex-5-en-2-one
Manual XrefsDatabases
9327414ChemSpider