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CHEBI:31537 - Enocitabine

Default Structure
ChEBI IDCHEBI:31537
ChEBI NameEnocitabine
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC31H55N3O6
Net Charge0
Average Mass565.796
Monoisotopic Mass565.40909
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
InChIInChI=1S/C31H55N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(36)32-26-22-23-34(31(39)33-26)30-29(38)28(37)25(24-35)40-30/h22-23,25,28-30,35,37-38H,2-21,24H2,1H3,(H,32,33,36,39)/t25-,28-,29+,30-/m1/s1
InChIKeySAMRUMKYXPVKPA-VFKOLLTISA-N
ChEBI Ontology
Outgoing Relation(s)
Enocitabine (CHEBI:31537) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
behenoylcytosine arabinosideDrugCentral
EnocitabineKEGG COMPOUND
sunrabinDrugCentral
Manual XrefsDatabases
1012DrugCentral
D01633KEGG DRUG
Registry NumbersSources
CAS:55726-47-1KEGG COMPOUND