CHEBI:189076 - 8-oxo-ATP(4−)

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ChEBI Name 8-oxo-ATP(4−)
ChEBI ID CHEBI:189076
ChEBI ASCII Name 8-oxo-ATP(4-)
Definition A nucleoside triphosphate(4−) that is ATP with adenine bearing a single oxo substituent at position 8; major species present at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Elisabeth COUDERT
Supplier Information
Download Molfile XML SDF
Formula C10H12N5O14P3
Net Charge -4
Average Mass 519.150
Monoisotopic Mass 518.96156
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)/p-4/t3-,5-,6-,9-/m1/s1
InChIKey CAIHKAFUTAIAPY-UUOKFMHZSA-J
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
ChEBI Ontology
Outgoing 8-oxo-ATP(4−) (CHEBI:189076) has functional parent ATP(4−) (CHEBI:30616)
8-oxo-ATP(4−) (CHEBI:189076) is a nucleoside 5'-triphoshate(4−) (CHEBI:61557)
8-oxo-ATP(4−) (CHEBI:189076) is conjugate base of 8-oxo-ATP (CHEBI:189100)
Incoming 8-oxo-ATP (CHEBI:189100) is conjugate acid of 8-oxo-ATP(4−) (CHEBI:189076)
IUPAC Name
8-oxo-5'-O-({[(phosphonatooxy)phosphinato]oxy}phosphinato)-8-hydroadenosine
Synonyms Sources
8-oxo-ATP UniProt
8-oxo-ATP tetraanion ChEBI
8-oxoadenosine-5'-triphosphate tetraanion ChEBI
8-oxoadenosine-5'-triphosphate(4−) ChEBI
Last Modified
18 January 2022