CHEBI:80611 - 6-Mercaptopurine ribonucleoside triphosphate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 6-Mercaptopurine ribonucleoside triphosphate
ChEBI ID CHEBI:80611
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C10H15N4O13P3S
Net Charge 0
Average Mass 524.23100
Monoisotopic Mass 523.95692
InChI InChI=1S/C10H15N4O13P3S/c15-6-4(1-24-29(20,21)27-30(22,23)26-28(17,18)19)25-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)31/h2-4,6-7,10,15-16H,1H2,(H,20,21)(H,22,23)(H,11,12,31)(H2,17,18,19)/t4-,6-,7-,10-/m1/s1
InChIKey GQNRDWAOABGWGP-KQYNXXCUSA-N
SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(S)ncnc12
ChEBI Ontology
Outgoing 6-Mercaptopurine ribonucleoside triphosphate (CHEBI:80611) is a organic molecule (CHEBI:72695)
Synonym Source
6-Thioinosine-5'-triphosphate KEGG COMPOUND
Manual Xrefs Databases
C16617 KEGG COMPOUND
HMDB0060411 HMDB
HMDB0060790 HMDB
View more database links
Registry Number Type Source
27652-34-2 CAS Registry Number KEGG COMPOUND