CHEBI:80610 - 6-Mercaptopurine ribonucleoside 5'-diphosphate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 6-Mercaptopurine ribonucleoside 5'-diphosphate
ChEBI ID CHEBI:80610
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C10H14N4O10P2S
Net Charge 0
Average Mass 444.25100
Monoisotopic Mass 443.99059
InChI InChI=1S/C10H14N4O10P2S/c15-6-4(1-22-26(20,21)24-25(17,18)19)23-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)27/h2-4,6-7,10,15-16H,1H2,(H,20,21)(H,11,12,27)(H2,17,18,19)/t4-,6-,7-,10-/m1/s1
InChIKey MHJZYMCYLFGDRD-KQYNXXCUSA-N
SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(S)ncnc12
ChEBI Ontology
Outgoing 6-Mercaptopurine ribonucleoside 5'-diphosphate (CHEBI:80610) is a organic molecule (CHEBI:72695)
Synonym Source
6-Thioinosine-5'-diphosphate KEGG COMPOUND
Manual Xrefs Databases
C16616 KEGG COMPOUND
HMDB0060660 HMDB
View more database links
Registry Number Type Source
805-63-0 CAS Registry Number KEGG COMPOUND