XYA

2-(6-AMINO-OCTAHYDRO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL



Chemical Component Summary

Name2-(6-AMINO-OCTAHYDRO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL
Synonyms9-BETA-D-XYLOFURANOSYL-ADENINE
Identifiers(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
FormulaC10 H13 N5 O4
Molecular Weight267.241
TypeNON-POLYMER
Isomeric SMILESc1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]([C@H](O3)CO)O)O)N
InChIInChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6+,7-,10-/m1/s1
InChIKeyOIRDTQYFTABQOQ-GAWUUDPSSA-N

Chemical Details

Formal Charge0
Atom Count32
Chiral Atom Count4
Bond Count34
Aromatic Bond Count10

Drug Info: DrugBank

DrugBank IDDB03528 
Name9-Beta-D-Xylofuranosyl-Adenine
Groups experimental
Synonyms9-Beta-D-Xylofuranosyl-Adenine

Drug Targets

NameTarget SequencePharmacological ActionActions
Purine nucleoside phosphorylase DeoD-typeMATPHINAEMGDFADVVLMPGDPLRAKYIAETFLEDAREVNNVRGMLGFT...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 447916
ChEMBL CHEMBL1236872
ChEBI CHEBI:46515