CHEBI:31841 - Metrizamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Metrizamide
ChEBI ID CHEBI:31841
Stars This entity has been manually annotated by a third party.
Secondary ChEBI IDs CHEBI:91720
Supplier Information
Download Molfile XML SDF
Formulae C18H22I3N3O8
C18H22I3N3O8
Net Charge 0
Average Mass 789.097
Monoisotopic Mass 788.85410
InChI InChI=1S/C18H22I3N3O8/c1-5(26)22-12-9(19)8(10(20)14(11(12)21)24(3)6(2)27)17(30)23-13-16(29)15(28)7(4-25)32-18(13)31/h7,13,15-16,18,25,28-29,31H,4H2,1-3H3,(H,22,26)(H,23,30)/t7-,13-,15-,16-,18?/m1/s1
InChIKey BAQCROVBDNBEEB-UBYUBLNFSA-N
SMILES CC(=O)NC1=C(C(=C(C(=C1I)C(=O)N[C@@H]2[C@H]([C@@H]([C@H](OC2O)CO)O)O)I)N(C)C(=O)C)I
ChEBI Ontology
Outgoing Metrizamide (CHEBI:31841) is a amino sugar (CHEBI:28963)
Synonyms Sources
amipaque DrugCentral
Metrizamide KEGG COMPOUND
telebrix DrugCentral
Manual Xrefs Databases
1788 DrugCentral
D01311 KEGG DRUG
HMDB0015518 HMDB
LSM-1575 LINCS
View more database links
Registry Number Type Source
31112-62-6 CAS Registry Number DrugCentral
Last Modified
06 March 2017