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CHEBI:231178 - 3'-C-Ethynylcytidine

ChEBI IDCHEBI:231178
ChEBI Name3'-C-Ethynylcytidine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H13N3O5
Net Charge0
Average Mass267.241
Monoisotopic Mass267.08552
SMILESC#C[C@@]1(O)[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)[C@@H]1O
InChIInChI=1S/C11H13N3O5/c1-2-11(18)6(5-15)19-9(8(11)16)14-4-3-7(12)13-10(14)17/h1,3-4,6,8-9,15-16,18H,5H2,(H2,12,13,17)/t6-,8+,9-,11-/m1/s1
InChIKeyJFIWEPHGRUDAJN-DYUFWOLASA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
3'-C-Ethynylcytidine (CHEBI:231178) is a pyrimidine nucleoside (CHEBI:26440)
IUPAC Name 
4-amino-1-[(2R,3R,4S,5R)-4-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Manual XrefsDatabases
DB06656DrugBank
154057ChemSpider