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CHEBI:177710 - Gemcitabine elaidate

ChEBI IDCHEBI:177710
ChEBI NameGemcitabine elaidate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H43F2N3O5
Net Charge0
Average Mass527.653
Monoisotopic Mass527.31708
SMILESCCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@@H]1O
InChIInChI=1S/C27H43F2N3O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(33)36-20-21-24(34)27(28,29)25(37-21)32-19-18-22(30)31-26(32)35/h9-10,18-19,21,24-25,34H,2-8,11-17,20H2,1H3,(H2,30,31,35)/b10-9+/t21-,24-,25-/m1/s1
InChIKeyHESSNRGIEVBPRB-QDDPNBLJSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
Gemcitabine elaidate (CHEBI:177710) is a pyrimidine 2'-deoxyribonucleoside (CHEBI:19255)
IUPAC Name 
[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-diluoro-3-hydroxyoxolan-2-yl]methyl (E)-octadec-9-enoate
Manual XrefsDatabases
8004050ChemSpider
DB12564DrugBank
D10222KEGG DRUG
Registry NumbersSources
CAS:210829-30-4ChemIDplus