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CHEBI:189076 - 8-oxo-ATP(4−)

ChEBI IDCHEBI:189076
ChEBI Name8-oxo-ATP(4−)
Stars
ASCII Name8-oxo-ATP(4-)
DefinitionA nucleoside triphosphate(4−) that is ATP with adenine bearing a single oxo substituent at position 8; major species present at pH 7.3.
Last Modified18 January 2022
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC10H12N5O14P3
Net Charge-4
Average Mass519.149
Monoisotopic Mass518.96155
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)/p-4/t3-,5-,6-,9-/m1/s1
InChIKeyCAIHKAFUTAIAPY-UUOKFMHZSA-J
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
8-oxo-ATP tetraanionChEBI
8-oxoadenosine-5'-triphosphate tetraanionChEBI
8-oxoadenosine-5'-triphosphate(4−)ChEBI
UniProt Name  Source
8-oxo-ATPUniProt