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CHEBI:222572 - Tyrocitabine-752

ChEBI IDCHEBI:222572
ChEBI NameTyrocitabine-752
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H45N6O13P
Net Charge0
Average Mass752.715
Monoisotopic Mass752.27822
SMILESCCCCCCCC(=O)OC1C(COP(=O)(O)OC23OC(CNC2Cc2ccc(O)cc2)C(C(O)CO)O3)OC(n2cnc3c(N)ncnc32)C1O
InChIInChI=1S/C32H45N6O13P/c1-2-3-4-5-6-7-24(42)48-28-22(47-31(26(28)43)38-17-37-25-29(33)35-16-36-30(25)38)15-46-52(44,45)51-32-23(12-18-8-10-19(40)11-9-18)34-13-21(49-32)27(50-32)20(41)14-39/h8-11,16-17,20-23,26-28,31,34,39-41,43H,2-7,12-15H2,1H3,(H,44,45)(H2,33,35,36)
InChIKeyNQAVZVIIUVQDRC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Lactobacillus iners LEAF 2052A-d (ncbitaxon:879302) - PubMed (35366417)
ChEBI Ontology
Outgoing Relation(s)
Tyrocitabine-752 (CHEBI:222572) is a purine ribonucleoside monophosphate (CHEBI:26397)