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CHEBI:73285 - 3-iodo-4-aminobenzyl-5'-N-methylcarboxamidoadenosine

ChEBI IDCHEBI:73285
ChEBI Name3-iodo-4-aminobenzyl-5'-N-methylcarboxamidoadenosine
Stars
ASCII Name3-iodo-4-aminobenzyl-5'-N-methylcarboxamidoadenosine
DefinitionA derivative of adenosine in which the 5'-hydroxymethyl group is replaced by N-ethylcarboxamido and one of the hydrogens of the exocyclic amino function is substituted by a 3-iodo-4-aminobenzyl group.
Last Modified5 March 2014
SubmitterMargaret Duesbury
DownloadsMolfile
FormulaC18H20IN7O4
Net Charge0
Average Mass525.307
Monoisotopic Mass525.06215
SMILESCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4ccc(N)c(I)c4)ncnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C18H20IN7O4/c1-21-17(29)14-12(27)13(28)18(30-14)26-7-25-11-15(23-6-24-16(11)26)22-5-8-2-3-10(20)9(19)4-8/h2-4,6-7,12-14,18,27-28H,5,20H2,1H3,(H,21,29)(H,22,23,24)/t12-,13+,14-,18+/m0/s1
InChIKeyLOGOEBMHHXYBID-MOROJQBDSA-N
ChEBI Ontology
Outgoing Relation(s)
3-iodo-4-aminobenzyl-5'-N-methylcarboxamidoadenosine (CHEBI:73285) has functional parent adenosine (CHEBI:16335)
3-iodo-4-aminobenzyl-5'-N-methylcarboxamidoadenosine (CHEBI:73285) is a adenosines (CHEBI:22260)
3-iodo-4-aminobenzyl-5'-N-methylcarboxamidoadenosine (CHEBI:73285) is a monocarboxylic acid amide (CHEBI:29347)
3-iodo-4-aminobenzyl-5'-N-methylcarboxamidoadenosine (CHEBI:73285) is a organoiodine compound (CHEBI:37142)
IUPAC Name 
(2S,3S,4R,5R)-5-{6-[(4-amino-3-iodobenzyl)amino]-9H-purin-9-yl}-3,4-dihydroxy-N-methyltetrahydrofuran-2-carboxamide
Synonyms  Source
AB-MECAChEBI
N6-(3-iodo-4-aminobenzyl)-adenosine-5'-N-methyluronamideChEBI
N6-(4-amino-3-iodobenzyl)-adenosine-5'-N-methyluronamideChEBI
I-AB-MECAChEBI
Registry NumbersSources
Reaxys:6832347Reaxys
Citations