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CHEBI:31702 - Iocarmic acid

Default Structure
ChEBI IDCHEBI:31702
ChEBI NameIocarmic acid
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC24H20I6N4O8
Net Charge0
Average Mass1253.868
Monoisotopic Mass1253.55495
SMILESCNC(=O)c1c(I)c(NC(=O)CCCCC(=O)Nc2c(I)c(C(=O)O)c(I)c(C(=O)NC)c2I)c(I)c(C(=O)O)c1I
InChIInChI=1S/C24H20I6N4O8/c1-31-21(37)9-13(25)11(23(39)40)17(29)19(15(9)27)33-7(35)5-3-4-6-8(36)34-20-16(28)10(22(38)32-2)14(26)12(18(20)30)24(41)42/h3-6H2,1-2H3,(H,31,37)(H,32,38)(H,33,35)(H,34,36)(H,39,40)(H,41,42)
InChIKeySMQYOVYWPWASGU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Iocarmic acid (CHEBI:31702) is a organic molecular entity (CHEBI:50860)
Synonym  Source
Iocarmic acidKEGG COMPOUND
Manual XrefsDatabases
1450DrugCentral
D01099KEGG DRUG
Registry NumbersSources
CAS:10397-75-8KEGG COMPOUND