CHEBI:31717 - Ioversol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Ioversol
ChEBI ID CHEBI:31717
Stars This entity has been manually annotated by a third party.
Secondary ChEBI IDs CHEBI:94420
Supplier Information
Download Molfile XML SDF
Formulae C18H24I3N3O9
C18H24I3N3O9
Net Charge 0
Average Mass 807.112
Monoisotopic Mass 806.86466
InChI InChI=1S/C18H24I3N3O9/c19-13-11(17(32)22-3-8(29)5-26)14(20)16(24(1-2-25)10(31)7-28)15(21)12(13)18(33)23-4-9(30)6-27/h8-9,25-30H,1-7H2,(H,22,32)(H,23,33)
InChIKey AMDBBAQNWSUWGN-UHFFFAOYSA-N
SMILES C(CO)N(C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I)C(=O)CO
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Ioversol (CHEBI:31717) is a amidobenzoic acid (CHEBI:48470)
Synonyms Sources
Ioversol KEGG COMPOUND
joversol DrugCentral
MP-328 DrugCentral
Optiray (TN) KEGG COMPOUND
Manual Xrefs Databases
1471 DrugCentral
D01555 KEGG DRUG
LSM-5116 LINCS
View more database links
Registry Number Type Source
87771-40-2 CAS Registry Number DrugCentral
Last Modified
06 March 2017