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CHEBI:133200 - carboxyibuprofen(2−)

ChEBI IDCHEBI:133200
ChEBI Namecarboxyibuprofen(2−)
Stars
ASCII Namecarboxyibuprofen(2-)
DefinitionA dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of carboxyibuprofen.
Last Modified9 September 2016
SubmitterSteve
DownloadsMolfile
FormulaC13H14O4
Net Charge-2
Average Mass234.251
Monoisotopic Mass234.09031
SMILESCC(Cc1ccc(C(C)C(=O)[O-])cc1)C(=O)[O-]
InChIInChI=1S/C13H16O4/c1-8(12(14)15)7-10-3-5-11(6-4-10)9(2)13(16)17/h3-6,8-9H,7H2,1-2H3,(H,14,15)(H,16,17)/p-2
InChIKeyDIVLBIVDYADZPL-UHFFFAOYSA-L
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (9094205)
Roles Classification
Biological Role:
ChEBI Ontology
Outgoing Relation(s)
carboxyibuprofen(2−) (CHEBI:133200) has role drug metabolite (CHEBI:49103)
carboxyibuprofen(2−) (CHEBI:133200) is a dicarboxylic acid dianion (CHEBI:28965)
carboxyibuprofen(2−) (CHEBI:133200) is conjugate base of carboxyibuprofen (CHEBI:133199)
Incoming Relation(s)
carboxyibuprofen (CHEBI:133199) is conjugate acid of carboxyibuprofen(2−) (CHEBI:133200)
IUPAC Name 
3-[4-(1-carboxylatoethyl)phenyl]-2-methylpropanoate
Synonym  Source
carboxyibuprofen dianionChEBI