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CHEBI:760958 - gemcitabine triphosphate(4-)

Default Structure
ChEBI IDCHEBI:760958
ChEBI Namegemcitabine triphosphate(4-)
Stars
Last Modified28 September 2026
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC9H10F2N3O13P3
Net Charge-4
Average Mass499.105
Monoisotopic Mass498.94165
SMILESNc1ccn([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)C2(F)F)c(=O)n1
InChIInChI=1S/C9H14F2N3O13P3/c10-9(11)6(15)4(25-7(9)14-2-1-5(12)13-8(14)16)3-24-29(20,21)27-30(22,23)26-28(17,18)19/h1-2,4,6-7,15H,3H2,(H,20,21)(H,22,23)(H2,12,13,16)(H2,17,18,19)/p-4/t4-,6-,7-/m1/s1
InChIKeyYMOXEIOKAJSRQX-QPPQHZFASA-J
ChEBI Ontology
Outgoing Relation(s)
gemcitabine triphosphate(4-) (CHEBI:760958) is a 2'-deoxyribonucleoside 5'-triphosphate(4−) (CHEBI:61560)
gemcitabine triphosphate(4-) (CHEBI:760958) is conjugate base of Gemcitabine triphosphate (CHEBI:178151)
UniProt Name  Source
gemcitabine triphosphateUniProt
Citations