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CHEBI:225391 - Cystothiazole C

ChEBI IDCHEBI:225391
ChEBI NameCystothiazole C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H24N2O4S2
Net Charge0
Average Mass408.545
Monoisotopic Mass408.11775
SMILESCOC(=O)/C=C(/OC)[C@H](C)[C@@H](O)/C=C/c1csc(-c2csc(C(C)C)n2)n1
InChIInChI=1S/C19H24N2O4S2/c1-11(2)18-21-14(10-27-18)19-20-13(9-26-19)6-7-15(22)12(3)16(24-4)8-17(23)25-5/h6-12,15,22H,1-5H3/b7-6+,16-8+/t12-,15+/m1/s1
InChIKeyBHOYNBJAHBSDKO-DLZOOJRJSA-N
Species of MetaboliteComponentSourceComments
Cystobacter fuscus (ncbitaxon:43) - DOI (10.1016/s0040-4020(98)00694-2)
ChEBI Ontology
Outgoing Relation(s)
Cystothiazole C (CHEBI:225391) is a thiazoles (CHEBI:48901)
IUPAC Name 
methyl (2E,4R,5S,6E)-5-hydroxy-3-methoxy-4-methyl-7-[2-(2-propan-2-yl-1,3-thiazol-4-yl)-1,3-thiazol-4-yl]hepta-2,6-dienoate
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