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CHEBI:231174 - Palmitoyl Ara-C

ChEBI IDCHEBI:231174
ChEBI NamePalmitoyl Ara-C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H43N3O6
Net Charge0
Average Mass481.634
Monoisotopic Mass481.31519
SMILESCCCCCCCCCCCCCCCC(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n1
InChIInChI=1S/C25H43N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(30)26-20-16-17-28(25(33)27-20)24-23(32)22(31)19(18-29)34-24/h16-17,19,22-24,29,31-32H,2-15,18H2,1H3,(H,26,27,30,33)/t19-,22-,23+,24-/m1/s1
InChIKeyXEFNBUBDJCJOGM-OUJCMCIWSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
Palmitoyl Ara-C (CHEBI:231174) is a pyrimidine nucleoside (CHEBI:26440)
IUPAC Name 
N-[1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]hexadecanamide
Manual XrefsDatabases
37928ChemSpider