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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-iodo-4-aminobenzyl-5'-N-methylcarboxamidoadenosine
ChEBI ID CHEBI:73285
ChEBI ASCII Name 3-iodo-4-aminobenzyl-5'-N-methylcarboxamidoadenosine
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Margaret Duesbury
Supplier Information
Download Molfile XML SDF
Formula C18H20IN7O4
Net Charge 0
Average Mass 525.30040
Monoisotopic Mass 525.06215
InChI InChI=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
InChIKey LOGOEBMHHXYBID-MOROJQBDSA-N
SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccc(N)c(I)c3)ncnc12
ChEBI Ontology
Outgoing 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 Sources
AB-MECA ChEBI
I-AB-MECA ChEBI
N6-(3-iodo-4-aminobenzyl)-adenosine-5'-N-methyluronamide ChEBI
N6-(4-amino-3-iodobenzyl)-adenosine-5'-N-methyluronamide ChEBI
Registry Number Type Source
6832347 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
23219796 PubMed citation Europe PMC
23597562 PubMed citation Europe PMC
Last Modified
05 March 2014