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CHEBI:177700 - Elacytarabine

ChEBI IDCHEBI:177700
ChEBI NameElacytarabine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H45N3O6
Net Charge0
Average Mass507.672
Monoisotopic Mass507.33084
SMILESCCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C27H45N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(31)35-20-21-24(32)25(33)26(36-21)30-19-18-22(28)29-27(30)34/h9-10,18-19,21,24-26,32-33H,2-8,11-17,20H2,1H3,(H2,28,29,34)/b10-9+/t21-,24-,25+,26-/m1/s1
InChIKeyFLFGNMFWNBOBGE-FNNZEKJRSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) Sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
Elacytarabine (CHEBI:177700) is a pyrimidine nucleoside (CHEBI:26440)
IUPAC Name 
[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl (E)-octadec-9-enoate
Manual XrefsDatabases
D09712KEGG DRUG
4943338ChemSpider
DB05494DrugBank
Registry NumbersSources
CAS:101235-34-1ChemIDplus