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Chemical Entities of Biological Interest Ontology
Last uploaded:
November 5, 2024
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| Preferred Name | valacyclovir | |
| Synonyms |
L-Valine, 2-((2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy)ethyl ester L-Valine ester with 9-((2-hydroxyethoxy)methyl)guanine 2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl L-valinate |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_35854 |
|
| charge |
0
|
|
| database_cross_reference |
Wikipedia:Valacyclovir Drug_Central:2798 LINCS:LSM-5571 CAS:124832-26-4 Beilstein:8160931
|
|
| formula |
C13H20N6O4
|
|
| has functional parent | ||
| has role | ||
| has_exact_synonym |
2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl L-valinate
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
L-Valine, 2-((2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy)ethyl ester L-Valine ester with 9-((2-hydroxyethoxy)methyl)guanine
|
|
| id |
CHEBI:35854
|
|
| in_subset | ||
| inchi |
InChI=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
|
|
| inchikey |
HDOVUKNUBWVHOX-QMMMGPOBSA-N
|
|
| label |
valacyclovir
|
|
| mass |
324.33594
|
|
| monoisotopicmass |
324.15460
|
|
| notation |
CHEBI:35854
|
|
| prefLabel |
valacyclovir
|
|
| smiles |
CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1nc(N)[nH]c2=O
|
|
| treeView | ||
| subClassOf |
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