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

ChEBI IDCHEBI:71336
ChEBI Name3'-O-(N-methylanthraniloyl)adenosine 5'-diphosphate
Stars
ASCII Name3'-O-(N-methylanthraniloyl)adenosine 5'-diphosphate
DefinitionA purine ribonucleoside 5'-diphosphate that is ADP substituted at position 3' by an N-methylanthraniloyl group.
Last Modified4 December 2012
SubmitterMargaret Duesbury
DownloadsMolfile
FormulaC18H22N6O11P2
Net Charge0
Average Mass560.353
Monoisotopic Mass560.08218
SMILESCNc1ccccc1C(=O)O[C@H]1[C@@H](O)[C@H](n2cnc3c(N)ncnc32)O[C@@H]1COP(=O)(O)OP(=O)(O)O
InChIInChI=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
InChIKeyANMCUTJZONROBG-LSCFUAHRSA-N
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
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  Source
MANT-ADPSUBMITTER
3'-O-(N-methylanthraniloyl)-ADPChemIDplus
adenosine 5'-(trihydrogen diphosphate) 3'-(2-(methylamino)benzoate)ChemIDplus
Manual XrefsDatabases
DB03126DrugBank
Registry NumbersSources
Reaxys:8742307Reaxys
CAS:85287-55-4ChemIDplus
Citations