EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:42852 - GEMCITABINE DIPHOSPHATE

Default Structure
ChEBI IDCHEBI:42852
ChEBI NameGEMCITABINE DIPHOSPHATE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC9H13F2N3O10P2
Net Charge0
Average Mass423.158
Monoisotopic Mass423.00442
SMILES[H]O[C@@]1([H])C(F)(F)[C@]([H])(n2c([H])c([H])c(N([H])[H])nc2=O)O[C@]1([H])C([H])([H])O[P@](=O)(O[H])OP(=O)(O[H])O[H]
InChIInChI=1S/C9H13F2N3O10P2/c10-9(11)6(15)4(3-22-26(20,21)24-25(17,18)19)23-7(9)14-2-1-5(12)13-8(14)16/h1-2,4,6-7,15H,3H2,(H,20,21)(H2,12,13,16)(H2,17,18,19)/t4-,6-,7-/m1/s1
InChIKeyFRQISCZGNNXEMD-QPPQHZFASA-N
ChEBI Ontology
Outgoing Relation(s)
GEMCITABINE DIPHOSPHATE (CHEBI:42852) is a unclassifieds (CHEBI:27189)
Synonyms  Source
2'-deoxy-2',2'-difluorocytidine 5'-(trihydrogen diphosphate)PDBeChem
GEMCITABINE DIPHOSPHATEPDBeChem
Manual XrefsDatabases
GCQPDBeChem