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CHEBI:77897 - 2-hydroxy-dATP(4−)

ChEBI IDCHEBI:77897
ChEBI Name2-hydroxy-dATP(4−)
Stars
ASCII Name2-hydroxy-dATP(4-)
DefinitionA 2'-deoxyribonucleoside triphosphate oxoanion that is the tetraanion of 2'-deoxy-2-hydroxyadenosine 5'-triphosphate, arising from deprotonation of the triphosphate OH groups. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified10 May 2021
SubmitterKAX
DownloadsMolfile
FormulaC10H12N5O13P3
Net Charge-4
Average Mass503.150
Monoisotopic Mass502.96664
SMILESNc1nc(=O)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O1
InChIInChI=1S/C10H16N5O13P3/c11-8-7-9(14-10(17)13-8)15(3-12-7)6-1-4(16)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)/p-4/t4-,5+,6+/m0/s1
InChIKeyUOACBPRDWRDEHJ-KVQBGUIXSA-J
ChEBI Ontology
Outgoing Relation(s)
2-hydroxy-dATP(4−) (CHEBI:77897) is a 2'-deoxyribonucleoside triphosphate oxoanion (CHEBI:61662)
2-hydroxy-dATP(4−) (CHEBI:77897) is conjugate base of 2-hydroxy-dATP(3−) (CHEBI:63209)
Incoming Relation(s)
2-hydroxy-dATP(3−) (CHEBI:63209) is conjugate acid of 2-hydroxy-dATP(4−) (CHEBI:77897)
IUPAC Name 
2'-deoxy-2-oxo-5'-O-({[(phosphonatooxy)phosphinato]oxy}phosphinato)-3-hydroadenosine
Synonyms  Source
2'-deoxyisoguanosine triphosphate(4−)ChEBI
2-HO-dATP(4−)ChEBI
UniProt Name  Source
2-oxo-dATPUniProt