EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:72213 - tolmetin(1−)

ChEBI IDCHEBI:72213
ChEBI Nametolmetin(1−)
Stars
ASCII Nametolmetin(1-)
DefinitionA monocarboxylic acid anion that is the conjugate base of tolmetin, obtained by deprotonation of the carboxy group.
Last Modified6 February 2013
SubmitterSteve
DownloadsMolfile
FormulaC15H14NO3
Net Charge-1
Average Mass256.281
Monoisotopic Mass256.09792
SMILESCc1ccc(C(=O)c2ccc(CC(=O)[O-])n2C)cc1
InChIInChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18/h3-8H,9H2,1-2H3,(H,17,18)/p-1
InChIKeyUPSPUYADGBWSHF-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
tolmetin(1−) (CHEBI:72213) is a monocarboxylic acid anion (CHEBI:35757)
tolmetin(1−) (CHEBI:72213) is conjugate base of tolmetin (CHEBI:71941)
Incoming Relation(s)
tolmetin sodium (CHEBI:9619) has part tolmetin(1−) (CHEBI:72213)
tolmetin (CHEBI:71941) is conjugate acid of tolmetin(1−) (CHEBI:72213)
IUPAC Name 
[1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetate
Synonym  Source
tolmetin anionChEBI