CHEBI:172878 - 2-oxo-ATP(4−)

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ChEBI Name 2-oxo-ATP(4−)
ChEBI ID CHEBI:172878
ChEBI ASCII Name 2-oxo-ATP(4-)
Definition A nucleoside triphosphate(4−) obtained by global deprotonation of the triphosphate OH groups of 2-oxo-ATP; major microspecies at pH 7.3
Stars This entity has been manually annotated by a third party.
Submitter Anne Morgat
Supplier Information No supplier information found for this compound.
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(14-10(18)13-7)15(2-12-4)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,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/p-4/t3-,5-,6-,9-/m1/s1
InChIKey DJHOBIUAJLDRDQ-UUOKFMHZSA-J
SMILES NC1=NC(NC2=C1N=CN2[C@@H]3O[C@H](COP(=O)(OP(=O)(OP(=O)([O-])[O-])[O-])[O-])[C@@H](O)[C@H]3O)=O
ChEBI Ontology
Outgoing 2-oxo-ATP(4−) (CHEBI:172878) is a nucleoside 5'-triphoshate(4−) (CHEBI:61557)
2-oxo-ATP(4−) (CHEBI:172878) is tautomer of 2-hydroxy-ATP(4−) (CHEBI:169970)
Incoming 2-hydroxy-ATP(4−) (CHEBI:169970) is tautomer of 2-oxo-ATP(4−) (CHEBI:172878)
Synonyms Sources
2-oxo-adenosine 5'-triphosphate tetraanion SUBMITTER
2-oxo-ATP UniProt
2-oxo-ATP tetraanion SUBMITTER
Citation
Fujikawa K, Kamiya H, Yakushiji H, Nakabeppu Y, Kasai H (2001)
Human MTH1 protein hydrolyzes the oxidized ribonucleotide, 2-hydroxy-ATP.
Nucleic acids research 29, 449-454 (Source: SUBMITTER) [PubMed:11139615]
[show Abstract]