CHEBI:222556 - Tyrocitabine-626

ChEBI IDCHEBI:222556
ChEBI NameTyrocitabine-626
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H31N6O12P
Net Charge0
Average Mass626.516
Monoisotopic Mass626.17376
SMILESNc1ncnc2c1ncn2C1OC(COP(=O)(O)OC23OC(CNC2Cc2ccc(O)cc2)C(C(O)CO)O3)C(O)C1O
InChIInChI=1S/C24H31N6O12P/c25-21-17-22(28-9-27-21)30(10-29-17)23-19(35)18(34)15(39-23)8-38-43(36,37)42-24-16(5-11-1-3-12(32)4-2-11)26-6-14(40-24)20(41-24)13(33)7-31/h1-4,9-10,13-16,18-20,23,26,31-35H,5-8H2,(H,36,37)(H2,25,27,28)
InChIKeyGLCTWQYGGOOIEF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Lactobacillus iners LEAF 2052A-d (ncbitaxon:879302) - PubMed (35366417)
ChEBI Ontology
Outgoing Relation(s)
Tyrocitabine-626 (CHEBI:222556) is a purine ribonucleoside monophosphate (CHEBI:26397)