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CHEBI:73735 - gadoterate

ChEBI IDCHEBI:73735
ChEBI Namegadoterate
Stars
DefinitionA tetracarboxylic acid anion that is the conjugate base of gadoteric acid.
Last Modified21 May 2013
SubmitterSteve
DownloadsMolfile
FormulaC16H24GdN4O8
Net Charge-1
Average Mass557.638
Monoisotopic Mass558.08407
SMILESO=C([O-])C[N+]12CC[N+]3(CC(=O)[O-])CC[N+]4(CC(=O)[O-])CC[N+](CC(=O)[O-])(CC1)[Gd-]234
InChIInChI=1S/C16H28N4O8.Gd/c21-13(22)9-17-1-2-18(10-14(23)24)5-6-20(12-16(27)28)8-7-19(4-3-17)11-15(25)26;/h1-12H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28);/q;+3/p-4
InChIKeyGFSTXYOTEVLASN-UHFFFAOYSA-J
ChEBI Ontology
Outgoing Relation(s)
gadoterate (CHEBI:73735) is a tetracarboxylic acid anion (CHEBI:35754)
gadoterate (CHEBI:73735) is conjugate base of gadoteric acid (CHEBI:73732)
Incoming Relation(s)
gadoterate meglumine (CHEBI:73727) has part gadoterate (CHEBI:73735)
gadoteric acid (CHEBI:73732) is conjugate acid of gadoterate (CHEBI:73735)
IUPAC Name 
[2,2',2'',2'''-(1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl-κ4N1,N4,N7,N10)tetraacetato(4−)]gadolinate(1−)
Registry NumbersSources
Reaxys:16972779Reaxys