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CHEBI:34316 - 3'-O-(4-Benzoyl)benzoyl ATP

Default Structure
ChEBI IDCHEBI:34316
ChEBI Name3'-O-(4-Benzoyl)benzoyl ATP
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC24H24N5O15P3
Net Charge0
Average Mass715.398
Monoisotopic Mass715.04817
SMILESNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](OC(=O)c2ccc(C(=O)c3ccccc3)cc2)[C@H]1O
InChIInChI=1S/C24H24N5O15P3/c25-21-17-22(27-11-26-21)29(12-28-17)23-19(31)20(16(41-23)10-40-46(36,37)44-47(38,39)43-45(33,34)35)42-24(32)15-8-6-14(7-9-15)18(30)13-4-2-1-3-5-13/h1-9,11-12,16,19-20,23,31H,10H2,(H,36,37)(H,38,39)(H2,25,26,27)(H2,33,34,35)/t16-,19-,20-,23-/m1/s1
InChIKeyAWJJLYZBWRIBCZ-UGTJMOTHSA-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-(4-Benzoyl)benzoyl ATP (CHEBI:34316) is a purine ribonucleoside triphosphate (CHEBI:26398)
Synonyms  Source
3'-O-(4-Benzoyl)benzoyl ATPKEGG COMPOUND
BzATPKEGG COMPOUND
Manual XrefsDatabases
C13744KEGG COMPOUND
Registry NumbersSources
CAS:81790-82-1KEGG COMPOUND