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CHEBI:32273 - Tyropanoate sodium

ChEBI IDCHEBI:32273
ChEBI NameTyropanoate sodium
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC15H17I3NO3.Na
Net Charge0
Average Mass663.007
Monoisotopic Mass662.82403
SMILESCCCC(=O)Nc1c(I)cc(I)c(CC(CC)C(=O)[O-])c1I.[Na+]
InChIInChI=1S/C15H18I3NO3.Na/c1-3-5-12(20)19-14-11(17)7-10(16)9(13(14)18)6-8(4-2)15(21)22;/h7-8H,3-6H2,1-2H3,(H,19,20)(H,21,22);/q;+1/p-1
InChIKeyKTVKGXZZBQCBGD-UHFFFAOYSA-M
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Tyropanoate sodium (CHEBI:32273) is a benzenes (CHEBI:22712)
Tyropanoate sodium (CHEBI:32273) is a monocarboxylic acid (CHEBI:25384)
Synonym  Source
Tyropanoate sodiumKEGG COMPOUND
Manual XrefsDatabases
D01884KEGG DRUG
Registry NumbersSources
CAS:7246-21-1KEGG COMPOUND