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CHEBI:35854 - valacyclovir

ChEBI IDCHEBI:35854
ChEBI Namevalacyclovir
Stars
Last Modified22 February 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC13H20N6O4
Net Charge0
Average Mass324.341
Monoisotopic Mass324.15460
SMILESCC(C)[C@H](N)C(=O)OCCOCn1cnc2c(=O)nc(N)nc21
InChIInChI=1S/C13H20N6O4/c1-7(2)8(14)12(21)23-4-3-22-6-19-5-16-9-10(19)17-13(15)18-11(9)20/h5,7-8H,3-4,6,14H2,1-2H3,(H3,15,17,18,20)/t8-/m0/s1
InChIKeyHDOVUKNUBWVHOX-QMMMGPOBSA-N
Wikipedia
Roles Classification
Biological Role:
antiviral drug  A substance used in the prophylaxis or therapy of virus diseases.
Application:
antiviral drug  A substance used in the prophylaxis or therapy of virus diseases.
ChEBI Ontology
Outgoing Relation(s)
valacyclovir (CHEBI:35854) has functional parent guanine (CHEBI:16235)
valacyclovir (CHEBI:35854) has role antiviral drug (CHEBI:36044)
valacyclovir (CHEBI:35854) is a L-valyl ester (CHEBI:35855)
valacyclovir (CHEBI:35854) is conjugate base of valacyclovir(1+) (CHEBI:233453)
Incoming Relation(s)
valacyclovir(1+) (CHEBI:233453) is conjugate acid of valacyclovir (CHEBI:35854)
IUPAC Name 
2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl L-valinate
Synonyms  Source
L-Valine ester with 9-((2-hydroxyethoxy)methyl)guanineChemIDplus
L-Valine, 2-((2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy)ethyl esterChemIDplus
Manual XrefsDatabases
ValacyclovirWikipedia
LSM-5571LINCS
2798DrugCentral
Registry NumbersSources
Beilstein:8160931Beilstein
CAS:124832-26-4ChemIDplus