CHEBI:2332 - 9-(5-phosphoribofuranosyl)-6-mercaptopurine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 9-(5-phosphoribofuranosyl)-6-mercaptopurine
ChEBI ID CHEBI:2332
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C10H13N4O7PS
Net Charge 0
Average Mass 364.273
Monoisotopic Mass 364.02426
InChI InChI=1S/C10H13N4O7PS/c15-6-4(1-20-22(17,18)19)21-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)23/h2-4,6-7,10,15-16H,1H2,(H,11,12,23)(H2,17,18,19)/t4-,6-,7-,10-/m1/s1
InChIKey ZKRFOXLVOKTUTA-KQYNXXCUSA-N
SMILES N1(C2=C(C(=NC=N2)S)N=C1)[C@@H]3O[C@H](COP(O)(O)=O)[C@H]([C@H]3O)O
ChEBI Ontology
Outgoing 9-(5-phosphoribofuranosyl)-6-mercaptopurine (CHEBI:2332) is a purine ribonucleoside 5'-monophosphate (CHEBI:37021)
9-(5-phosphoribofuranosyl)-6-mercaptopurine (CHEBI:2332) is a thiopurine (CHEBI:35666)
Synonyms Sources
6-Thioinosine-5'-monophosphate KEGG COMPOUND
9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine KEGG COMPOUND
9-(5-Phospho-1-ribofuranosyl)-6-mercaptopurine KEGG COMPOUND
Manual Xrefs Databases
C04646 KEGG COMPOUND
HMDB0060416 HMDB
View more database links
Registry Number Type Source
53-83-8 CAS Registry Number KEGG COMPOUND
Last Modified
25 October 2017