CHEBI:230016 - 5-Fluoro-2'-deoxycytidine

ChEBI IDCHEBI:230016
ChEBI Name5-Fluoro-2'-deoxycytidine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H12FN3O4
Net Charge0
Average Mass245.210
Monoisotopic Mass245.08118
SMILESNc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1F
InChIInChI=1S/C9H12FN3O4/c10-4-2-13(9(16)12-8(4)11)7-1-5(15)6(3-14)17-7/h2,5-7,14-15H,1,3H2,(H2,11,12,16)/t5-,6+,7+/m0/s1
InChIKeyIDYKCXHJJGMAEV-RRKCRQDMSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
5-Fluoro-2'-deoxycytidine (CHEBI:230016) is a organohalogen compound (CHEBI:17792)
5-Fluoro-2'-deoxycytidine (CHEBI:230016) is a pyrimidines (CHEBI:39447)
IUPAC Name 
4-amino-5-luoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Manual XrefsDatabases
LSM-45957LINCS
449596ChemSpider
DB12957DrugBank
B86PDBeChem