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CHEBI:223168 - Thiazohalostatin

ChEBI IDCHEBI:223168
ChEBI NameThiazohalostatin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H25Cl3N2O4S
Net Charge0
Average Mass495.856
Monoisotopic Mass494.06006
SMILESCC(CC(C)C(=O)/C=C(\O)c1nc(Cl)c(Cl)c1Cl)CC(C)C1=NC(C)(C(=O)O)CS1
InChIInChI=1S/C20H25Cl3N2O4S/c1-9(6-11(3)18-25-20(4,8-30-18)19(28)29)5-10(2)12(26)7-13(27)16-14(21)15(22)17(23)24-16/h7,9-11,24,27H,5-6,8H2,1-4H3,(H,28,29)/b13-7-
InChIKeyZQUHVOUFWOBOIQ-QPEQYQDCSA-N
Species of MetaboliteComponentSourceComments
Actinomadura (ncbitaxon:1988) - PubMed (8270484)
ChEBI Ontology
Outgoing Relation(s)
Thiazohalostatin (CHEBI:223168) has functional parent α-amino acid (CHEBI:33704)
Thiazohalostatin (CHEBI:223168) is a organonitrogen compound (CHEBI:35352)
Thiazohalostatin (CHEBI:223168) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
2-[(Z)-9-hydroxy-4,6-dimethyl-7-oxo-9-(3,4,5-trichloro-1H-pyrrol-2-yl)non-8-en-2-yl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid
Manual XrefsDatabases
8002873ChemSpider