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CHEBI:189201 - 2-({3-Acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoyl}amino)-2-deoxyhexopyranose

ChEBI IDCHEBI:189201
ChEBI Name2-({3-Acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoyl}amino)-2-deoxyhexopyranose
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22I3N3O8
Net Charge0
Average Mass789.099
Monoisotopic Mass788.85411
SMILESCC(=O)Nc1c(I)c(C(=O)NC2C(O)OC(CO)C(O)C2O)c(I)c(N(C)C(C)=O)c1I
InChIInChI=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)
InChIKeyBAQCROVBDNBEEB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) leaf (BTO:0000713) MetaboLights (MTBLS3997)
ChEBI Ontology
Outgoing Relation(s)
2-({3-Acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoyl}amino)-2-deoxyhexopyranose (CHEBI:189201) is a N-acyl-hexosamine (CHEBI:21656)
IUPAC Name 
3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodo-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide
Manual XrefsDatabases
303557ChemSpider