EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:5953 - Ipodate Sodium

ChEBI IDCHEBI:5953
ChEBI NameIpodate Sodium
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC12H12I3N2O2.Na
Net Charge0
Average Mass619.942
Monoisotopic Mass619.79307
SMILESCN(C)/C=N/c1c(I)cc(I)c(CCC(=O)[O-])c1I.[Na+]
InChIInChI=1S/C12H13I3N2O2.Na/c1-17(2)6-16-12-9(14)5-8(13)7(11(12)15)3-4-10(18)19;/h5-6H,3-4H2,1-2H3,(H,18,19);/q;+1/p-1/b16-6+;
InChIKeyZFHZUGUCWJVEQC-FPUQOWELSA-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)
Ipodate Sodium (CHEBI:5953) is a benzenes (CHEBI:22712)
Ipodate Sodium (CHEBI:5953) is a monocarboxylic acid (CHEBI:25384)
Synonyms  Source
Ipodate SodiumKEGG COMPOUND
Sodium iopodateKEGG COMPOUND
Manual XrefsDatabases
D01015KEGG DRUG
Registry NumbersSources
CAS:1221-56-3KEGG COMPOUND