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CHEBI:188156 - indeglitazar(1−)

ChEBI IDCHEBI:188156
ChEBI Nameindeglitazar(1−)
Stars
ASCII Nameindeglitazar(1-)
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC19H18NO6S
Net Charge-1
Average Mass388.421
Monoisotopic Mass388.08603
SMILESCOc1ccc(S(=O)(=O)n2cc(CCC(=O)[O-])c3cc(OC)ccc32)cc1
InChIInChI=1S/C19H19NO6S/c1-25-14-4-7-16(8-5-14)27(23,24)20-12-13(3-10-19(21)22)17-11-15(26-2)6-9-18(17)20/h4-9,11-12H,3,10H2,1-2H3,(H,21,22)/p-1
InChIKeyYMPALHOKRBVHOJ-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
indeglitazar(1−) (CHEBI:188156) is a carboxylic acid anion (CHEBI:29067)
indeglitazar(1−) (CHEBI:188156) is a sulfone (CHEBI:35850)
UniProt Name  Source
indeglitazarUniProt
Manual XrefsDatabases
ET1PDBeChem
Registry NumbersSources
CAS:835619-41-5SUBMITTER