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CHEBI:189100 - 8-oxo-ATP

ChEBI IDCHEBI:189100
ChEBI Name8-oxo-ATP
Stars
DefinitionA purine ribonucleoside 5'-triphosphate that is ATP carrying an oxo group at position 8.
Last Modified18 January 2022
SubmitterAdnan
DownloadsMolfile
FormulaC10H16N5O14P3
Net Charge0
Average Mass523.181
Monoisotopic Mass522.99066
SMILESNc1ncnc2c1nc(=O)n2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
InChIInChI=1S/C10H16N5O14P3/c11-7-4-8(13-2-12-7)15(10(18)14-4)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,14,18)(H,22,23)(H,24,25)(H2,11,12,13)(H2,19,20,21)/t3-,5-,6-,9-/m1/s1
InChIKeyCAIHKAFUTAIAPY-UUOKFMHZSA-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)
8-oxo-ATP (CHEBI:189100) has functional parent ATP (CHEBI:15422)
8-oxo-ATP (CHEBI:189100) is a purine ribonucleoside 5'-triphosphate (CHEBI:37045)
8-oxo-ATP (CHEBI:189100) is conjugate acid of 8-oxo-ATP(4−) (CHEBI:189076)
8-oxo-ATP (CHEBI:189100) is tautomer of 8-hydroxy-ATP (CHEBI:189101)
Incoming Relation(s)
8-oxo-ATP(4−) (CHEBI:189076) is conjugate base of 8-oxo-ATP (CHEBI:189100)
8-hydroxy-ATP (CHEBI:189101) is tautomer of 8-oxo-ATP (CHEBI:189100)
IUPAC Name 
8-oxo-8-hydroadenosine 5'-(tetrahydrogen triphosphate)
Synonyms  Source
8-oxoadenosine-5'-triphosphatePDBeChem
8-oxo-adenosine-5'-triphosphateChEBI
Manual XrefsDatabases
H6YPDBeChem
Registry NumbersSources
CAS:68745-44-8ChemIDplus
Citations