CHEBI:189100 - 8-oxo-ATP

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ChEBI Name 8-oxo-ATP
ChEBI ID CHEBI:189100
Definition A purine ribonucleoside 5'-triphosphate that is ATP carrying an oxo group at position 8.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C10H16N5O14P3
Net Charge 0
Average Mass 523.180
Monoisotopic Mass 522.99066
InChI InChI=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
InChIKey CAIHKAFUTAIAPY-UUOKFMHZSA-N
SMILES NC1=NC=NC2=C1NC(=O)N2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via nucleoside 5'-triphoshate )
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ChEBI Ontology
Outgoing 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 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 Sources
8-oxo-adenosine-5'-triphosphate ChEBI
8-oxoadenosine-5'-triphosphate PDBeChem
Manual Xref Database
H6Y PDBeChem
View more database links
Registry Number Type Source
68745-44-8 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
21391900 PubMed citation Europe PMC
26999531 PubMed citation Europe PMC
Last Modified
18 January 2022