CHEBI:71336 - 3'-O-(N-methylanthraniloyl)adenosine 5'-diphosphate

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ChEBI Name 3'-O-(N-methylanthraniloyl)adenosine 5'-diphosphate ChEBI ID CHEBI:71336 ChEBI ASCII Name 3'-O-(N-methylanthraniloyl)adenosine 5'-diphosphate Definition A purine ribonucleoside 5'-diphosphate that is ADP substituted at position 3' by an N-methylanthraniloyl group. Stars This entity has been manually annotated by the ChEBI Team. Submitter Margaret Duesbury Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C18H22N6O11P2 Net Charge 0 Average Mass 560.34840 Monoisotopic Mass 560.08218 InChI InChI=1S/C18H22N6O11P2/c1-20-10-5-3-2-4-9(10)18(26)34-14-11(6-32-37(30,31)35-36(27,28)29)33-17(13(14)25)24-8-23-12-15(19)21-7-22-16(12)24/h2-5,7-8,11,13-14,17,20,25H,6H2,1H3,(H,30,31)(H2,19,21,22)(H2,27,28,29)/t11-,13-,14-,17-/m1/s1 InChIKey ANMCUTJZONROBG-LSCFUAHRSA-N SMILES CNc1ccccc1C(=O)O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(N)ncnc12 Roles Classification Biological Role(s): mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). (via nucleoside 5'-diphosphate ) View more via ChEBI Ontology ChEBI Ontology Outgoing 3'-O-(N-methylanthraniloyl)adenosine 5'-diphosphate (CHEBI:71336) has functional parent N-methylanthranilic acid (CHEBI:16394) 3'-O-(N-methylanthraniloyl)adenosine 5'-diphosphate (CHEBI:71336) has functional parent ADP (CHEBI:16761) 3'-O-(N-methylanthraniloyl)adenosine 5'-diphosphate (CHEBI:71336) is a purine ribonucleoside 5'-diphosphate (CHEBI:37038) IUPAC Name 3'-O-[2-(methylamino)benzoyl]adenosine 5'-(trihydrogen diphosphate) Synonyms Sources 3'-O-(N-methylanthraniloyl)-ADP ChemIDplus adenosine 5'-(trihydrogen diphosphate) 3'-(2-(methylamino)benzoate) ChemIDplus MANT-ADP SUBMITTER Manual Xref Database DB03126 DrugBank View more database links Registry Numbers Types Sources 85287-55-4 CAS Registry Number ChemIDplus 8742307 Reaxys Registry Number Reaxys Citations Types Sources 21986572 PubMed citation Europe PMC 7989299 PubMed citation SUBMITTER 8161526 PubMed citation Europe PMC 8504109 PubMed citation SUBMITTER 9548760 PubMed citation Europe PMC Last Modified 04 December 2012