EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:63208 - 2-hydroxy-dATP

ChEBI IDCHEBI:63208
ChEBI Name2-hydroxy-dATP
Stars
DefinitionA purine 2'-deoxyribonucleoside 5'-triphosphate in which the 2'-deoxyribonucleoside moiety is 2'-deoxy-2-hydroxyadenosine.
Last Modified20 April 2021
SubmitterGareth Owen
DownloadsMolfile
FormulaC10H16N5O13P3
Net Charge0
Average Mass507.182
Monoisotopic Mass506.99575
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)/t4-,5+,6+/m0/s1
InChIKeyUOACBPRDWRDEHJ-KVQBGUIXSA-N
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
2-hydroxy-dATP (CHEBI:63208) is a purine 2'-deoxyribonucleoside 5'-triphosphate (CHEBI:37042)
2-hydroxy-dATP (CHEBI:63208) is conjugate acid of 2-hydroxy-dATP(3−) (CHEBI:63209)
Incoming Relation(s)
2-hydroxy-dATP(3−) (CHEBI:63209) is conjugate base of 2-hydroxy-dATP (CHEBI:63208)
IUPAC Name 
2'-deoxy-2-oxo-3-hydroadenosine 5'-(tetrahydrogen triphosphate)
Synonyms  Source
2-OH-dATPChEBI
2'-deoxy-2-hydroxyadenosine triphosphateChEBI
2-HO-dATPChEBI
d(isoGTP)ChEBI
2'-deoxyisoguanosine triphosphateChEBI
2'-deoxy-2-hydroxyadenosine 5'-(tetrahydrogen triphosphate)IUPAC
Registry NumbersSources
Reaxys:9455763Reaxys
Reaxys:8372094Reaxys
Citations