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CHEBI:176952 - Cytarabine ocfosphate

ChEBI IDCHEBI:176952
ChEBI NameCytarabine ocfosphate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H49N3O8P.Na
Net Charge0
Average Mass597.666
Monoisotopic Mass597.31550
SMILESCCCCCCCCCCCCCCCCCCOP(=O)([O-])OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@@H](O)[C@@H]1O.[Na+]
InChIInChI=1S/C27H50N3O8P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-36-39(34,35)37-21-22-24(31)25(32)26(38-22)30-19-18-23(28)29-27(30)33;/h18-19,22,24-26,31-32H,2-17,20-21H2,1H3,(H,34,35)(H2,28,29,33);/q;+1/p-1/t22-,24-,25+,26-;/m1./s1
InChIKeyJOJYUFGTMHSFEE-YONYXQDTSA-M
Species of MetaboliteComponentSourceComments
Streptococcus mutans (ncbitaxon:1309) biofilm (BTO:0002690) MetaboLights (MTBLS3020) Strain: Streptococcus mutans UA159 [NCBI:txid210007]
ChEBI Ontology
Outgoing Relation(s)
Cytarabine ocfosphate (CHEBI:176952) is a pyrimidine ribonucleoside monophosphate (CHEBI:26443)
IUPAC Name 
sodium;[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl octadecyl phosphate
Manual XrefsDatabases
8070566ChemSpider
Registry NumbersSources
CAS:65093-40-5ChemIDplus