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CHEBI:184469 - {[(2S,3S,4S,5S)-5-(6-amino-2-chloro-9H-purin-9-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy}phosphonic acid

ChEBI IDCHEBI:184469
ChEBI Name{[(2S,3S,4S,5S)-5-(6-amino-2-chloro-9H-purin-9-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy}phosphonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H12ClFN5O6P
Net Charge0
Average Mass383.660
Monoisotopic Mass383.01978
SMILESNc1nc(Cl)nc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)O)[C@H](O)[C@@H]1F
InChIInChI=1S/C10H12ClFN5O6P/c11-10-15-7(13)5-8(16-10)17(2-14-5)9-4(12)6(18)3(23-9)1-22-24(19,20)21/h2-4,6,9,18H,1H2,(H2,13,15,16)(H2,19,20,21)/t3-,4-,6-,9-/m0/s1
InChIKeyJEJRVFQHFJDNJN-CQOARYKOSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
{[(2S,3S,4S,5S)-5-(6-amino-2-chloro-9H-purin-9-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methoxy}phosphonic acid (CHEBI:184469) is a purine 2'-deoxyribonucleoside monophosphate (CHEBI:26388)
IUPAC Name 
[(2S,3S,4S,5S)-5-(6-amino-2-chloropurin-9-yl)-4-luoro-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
Manual XrefsDatabases
30778619ChemSpider
HMDB0061069HMDB