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gadopentetate (CHEBI:35778)

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ChEBI Name gadopentetate
ChEBI ID CHEBI:35778
Last Modified 04 December 2006
Stars This entity has been manually annotated by the ChEBI Team.
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InChI
InChI=1/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/fC14H20N3O10.Gd/h20,24H;/q-3;m
InChIKey
InChIKey=IZOOGPBRAOKZFK-XYRIXZMLCA
SMILES
[Gd+3].OC(=O)CN(CCN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O)CC([O-])=O
Formula Source
C14H20GdN3O10 ChEBI
Charge 0
Mass 547.57282
ChEBI Ontology
Tree view
Outgoing gadopentetate (CHEBI:35778) is a gadolinium coordination entity (CHEBI:35730)
gadopentetate (CHEBI:35778) has role MRI contrast agent (CHEBI:37335)
Incoming 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
Registry Numbers Types Sources
1967848 Gmelin Registry Number Gmelin
2162158 Gmelin Registry Number Gmelin

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