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CHEBI:189666 - varespladib(1−)

ChEBI IDCHEBI:189666
ChEBI Namevarespladib(1−)
Stars
ASCII Namevarespladib(1-)
DefinitionA dicarboxylic acid monoamide(1−) that is the conjugate base of varespladib resulting from the deprotonation of the carboxy group; major species at pH 7.3.
Last Modified8 February 2022
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC21H19N2O5
Net Charge-1
Average Mass379.392
Monoisotopic Mass379.12995
SMILESCCc1c(C(=O)C(N)=O)c2c(OCC(=O)[O-])cccc2n1Cc1ccccc1
InChIInChI=1S/C21H20N2O5/c1-2-14-19(20(26)21(22)27)18-15(9-6-10-16(18)28-12-17(24)25)23(14)11-13-7-4-3-5-8-13/h3-10H,2,11-12H2,1H3,(H2,22,27)(H,24,25)/p-1
InChIKeyBHLXTPHDSZUFHR-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
varespladib(1−) (CHEBI:189666) is a dicarboxylic acid monoamide(1−) (CHEBI:77450)
varespladib(1−) (CHEBI:189666) is conjugate base of varespladib (CHEBI:189668)
Incoming Relation(s)
varespladib (CHEBI:189668) is conjugate acid of varespladib(1−) (CHEBI:189666)
IUPAC Name 
({3-[amino(oxo)acetyl]-1-benzyl-2-ethyl-1H-indol-4-yl}oxy)acetate
Synonym  Source
varespladib anionChEBI
UniProt Name  Source
varespladibUniProt
Citations