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CHEBI:30804 - isophthalate(1−)

Default Structure
ChEBI IDCHEBI:30804
ChEBI Nameisophthalate(1−)
Stars
ASCII Nameisophthalate(1-)
DefinitionA dicarboxylic acid monoanion that is the conjugate base of isophthalic acid.
Last Modified21 May 2014
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC8H5O4
Net Charge-1
Average Mass165.124
Monoisotopic Mass165.01933
SMILESO=C([O-])c1cccc(C(=O)O)c1
InChIInChI=1S/C8H6O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12)/p-1
InChIKeyQQVIHTHCMHWDBS-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
isophthalate(1−) (CHEBI:30804) is a dicarboxylic acid monoanion (CHEBI:35695)
isophthalate(1−) (CHEBI:30804) is conjugate acid of isophthalate(2−) (CHEBI:30803)
isophthalate(1−) (CHEBI:30804) is conjugate base of isophthalic acid (CHEBI:30802)
Incoming Relation(s)
isophthalic acid (CHEBI:30802) is conjugate acid of isophthalate(1−) (CHEBI:30804)
isophthalate(2−) (CHEBI:30803) is conjugate base of isophthalate(1−) (CHEBI:30804)
IUPAC Name 
3-carboxybenzoate
Synonym  Source
hydrogen isophthalateIUPAC
Manual XrefsDatabases
CPD0-1267MetaCyc
Registry NumbersSources
Gmelin:1947083Gmelin