Lamivudine sulfoxide (CHEBI:168474)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Lamivudine sulfoxide

ChEBI ID	CHEBI:168474

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C8H11N3O4S

Net Charge

Average Mass

245.250

Monoisotopic Mass

245.04703

InChI

InChI=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

InChIKey

LJMQAXFNQNADRZ-FYZWQCAOSA-N

SMILES

S1(=O)C[C@@H](O[C@@H]1CO)N2C=CC(=NC2=O)N

Metabolite of Species	Details
Malus domestica (NCBI:txid3750)	Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study

ChEBI Ontology
Outgoing	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