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CHEBI:177740 - Iosimenol

ChEBI IDCHEBI:177740
ChEBI NameIosimenol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H36I6N6O14
Net Charge0
Average Mass1478.081
Monoisotopic Mass1477.65579
SMILESNC(=O)c1c(I)c(C(=O)NCC(O)CO)c(I)c(N(CC(O)CO)C(=O)CC(=O)N(CC(O)CO)c2c(I)c(C(N)=O)c(I)c(C(=O)NCC(O)CO)c2I)c1I
InChIInChI=1S/C31H36I6N6O14/c32-20-16(28(38)54)22(34)26(24(36)18(20)30(56)40-2-10(48)6-44)42(4-12(50)8-46)14(52)1-15(53)43(5-13(51)9-47)27-23(35)17(29(39)55)21(33)19(25(27)37)31(57)41-3-11(49)7-45/h10-13,44-51H,1-9H2,(H2,38,54)(H2,39,55)(H,40,56)(H,41,57)
InChIKeyDLPPIGPJCKKVBA-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)
Iosimenol (CHEBI:177740) is a amidobenzoic acid (CHEBI:48470)
IUPAC Name 
5-[[3-[3-carbamoyl-N-(2,3-dihydroxypropyl)-5-(2,3-dihydroxypropylcarbamoyl)-2,4,6-triiodoanilino]-3-oxopropanoyl]-(2,3-dihydroxypropyl)amino]-3-N-(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
Manual XrefsDatabases
D08934KEGG DRUG
184738ChemSpider
Registry NumbersSources
CAS:181872-90-2ChemIDplus