CHEBI:177861 - iosefamic acid

ChEBI IDCHEBI:177861
ChEBI Nameiosefamic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H28I6N4O8
Net Charge0
Average Mass1309.976
Monoisotopic Mass1309.61755
SMILESCNC(=O)c1c(I)c(NC(=O)CCCCCCCCC(=O)Nc2c(I)c(C(=O)O)c(I)c(C(=O)NC)c2I)c(I)c(C(=O)O)c1I
InChIInChI=1S/C28H28I6N4O8/c1-35-25(41)13-17(29)15(27(43)44)21(33)23(19(13)31)37-11(39)9-7-5-3-4-6-8-10-12(40)38-24-20(32)14(26(42)36-2)18(30)16(22(24)34)28(45)46/h3-10H2,1-2H3,(H,35,41)(H,36,42)(H,37,39)(H,38,40)(H,43,44)(H,45,46)
InChIKeyRXUVYYAWLAIABB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
iosefamic acid (CHEBI:177861) is a amidobenzoic acid (CHEBI:48470)
IUPAC Name 
3-[[10-[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)anilino]-10-oxodecanoyl]amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid
Manual XrefsDatabases
D04588KEGG DRUG
20485ChemSpider
Registry NumbersSources
CAS:5591-33-3ChemIDplus