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CHEBI:233453 - valacyclovir(1+)

ChEBI IDCHEBI:233453
ChEBI Namevalacyclovir(1+)
Stars
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC13H21N6O4
Net Charge+1
Average Mass325.349
Monoisotopic Mass325.16188
SMILESCC(C)[C@H]([NH3+])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)/p+1/t8-/m0/s1
InChIKeyHDOVUKNUBWVHOX-QMMMGPOBSA-O
ChEBI Ontology
Outgoing Relation(s)
valacyclovir(1+) (CHEBI:233453) is a primary ammonium ion (CHEBI:65296)
valacyclovir(1+) (CHEBI:233453) is conjugate acid of valacyclovir (CHEBI:35854)
Incoming Relation(s)
valacyclovir (CHEBI:35854) is conjugate base of valacyclovir(1+) (CHEBI:233453)
UniProt Name  Source
valacyclovirUniProt
Citations