CHEBI:31716 - Iotroxic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Iotroxic acid
ChEBI ID CHEBI:31716
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C22H18I6N2O9
C22H18I6N2O9
Net Charge 0
Average Mass 1215.814
Monoisotopic Mass 1215.52805
InChI InChI=1S/C22H18I6N2O9/c23-9-5-11(25)19(17(27)15(9)21(33)34)29-13(31)7-38-3-1-37-2-4-39-8-14(32)30-20-12(26)6-10(24)16(18(20)28)22(35)36/h5-6H,1-4,7-8H2,(H,29,31)(H,30,32)(H,33,34)(H,35,36)
InChIKey JXMIBUGMYLQZGO-UHFFFAOYSA-N
SMILES N(C(COCCOCCOCC(NC1=C(I)C(C(O)=O)=C(C=C1I)I)=O)=O)C2=C(I)C(C(O)=O)=C(C=C2I)I
ChEBI Ontology
Outgoing Iotroxic acid (CHEBI:31716) is a organic molecular entity (CHEBI:50860)
Synonyms Sources
biliscopin DrugCentral
Iotroxic acid KEGG COMPOUND
Manual Xrefs Databases
3991 DrugCentral
D01388 KEGG DRUG
View more database links
Registry Number Type Source
51022-74-3 CAS Registry Number KEGG COMPOUND
Last Modified
22 February 2017