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CHEBI:35778 - gadopentetate

ChEBI IDCHEBI:35778
ChEBI Namegadopentetate
Stars
Last Modified4 December 2006
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC14H20N3O10.Gd
Net Charge0
Average Mass547.575
Monoisotopic Mass548.03897
SMILESO=C([O-])CN(CCN(CC(=O)[O-])CC(=O)O)CCN(CC(=O)[O-])CC(=O)O.[Gd+3]
InChIInChI=1S/C14H23N3O10.Gd/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);/q;+3/p-3
InChIKeyIZOOGPBRAOKZFK-UHFFFAOYSA-K
Wikipedia
Roles Classification
Application:
ChEBI Ontology
Outgoing Relation(s)
gadopentetate (CHEBI:35778) has role MRI contrast agent (CHEBI:37335)
gadopentetate (CHEBI:35778) is a gadolinium coordination entity (CHEBI:35730)
Incoming Relation(s)
gadopentetate dimeglumine (CHEBI:31797) has part gadopentetate (CHEBI:35778)
IUPAC Name 
gadolinium (bis{2-[(carboxylatomethyl)(carboxymethyl)amino]ethyl}amino)acetate
Synonym  Source
Gd(H2dtpa)IUPAC
Manual XrefsDatabases
GadopentetateWikipedia
Registry NumbersSources
Gmelin:2162158Gmelin
Gmelin:1967848Gmelin