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CHEBI:168474 - Lamivudine sulfoxide

ChEBI IDCHEBI:168474
ChEBI NameLamivudine sulfoxide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H11N3O4S
Net Charge0
Average Mass245.260
Monoisotopic Mass245.04703
SMILESNc1ccn([C@H]2CS(=O)[C@@H](CO)O2)c(=O)n1
InChIInChI=1S/C8H11N3O4S/c9-5-1-2-11(8(13)10-5)6-4-16(14)7(3-12)15-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+,16?/m1/s1
InChIKeyLJMQAXFNQNADRZ-FYZWQCAOSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Lamivudine sulfoxide (CHEBI:168474) is a carbohydrate derivative (CHEBI:63299)
Lamivudine sulfoxide (CHEBI:168474) is a nucleobase-containing molecular entity (CHEBI:61120)
IUPAC Name 
4-amino-1-[(2S,5R)-2-(hydroxymethyl)-3-oxo-1,3-oxathiolan-5-yl]pyrimidin-2-one
Manual XrefsDatabases
HMDB0060599HMDB
398148ChemSpider