MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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famciclovir

	Properties	Image
MNX_ID	MNXM1103584
reference	chebi:4974
formula	C₁₄H₁₉N₅O₄
global charge	0
mol weight	321.337
InChIKey	GGXKWVWZWMLJEH-UHFFFAOYSA-N
InChI	InChI=1S/C14H19N5O4/c1-9(20)22-6-11(7-23-10(2)21)3-4-19-8-17-12-5-16-14(15)18-13(12)19/h5,8,11H,3-4,6-7H2,1-2H3,(H2,15,16,18)
SMILES	CC(=O)OCC(CCN1C=NC2=C1N=C(N)N=C2)COC(C)=O

MNX internals

InChI (mnx)	InChI=1/C14H19N5O4/c1-9(20)22-6-11(7-23-10(2)21)3-4-19-8-17-12-5-16-14(15)18-13(12)19/h5,8,11H,3-4,6-7H2,1-2H3,(H2,15,16,18)
SMILES (mnx)	[CH3:1][C:9](=[O:20])[O:22][CH2:6][CH:11]([CH2:3][CH2:4][N:19]1[CH:8]=[N:17][C:12]2=[CH:5][NH:16][C:14](=[NH:15])[N:18]=[C:13]21)[CH2:7][O:23][C:10]([CH3:2])=[O:21]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:4974 chebi:4974 GGXKWVWZWMLJEH-UHFFFAOYSA-N	famciclovir 2-(2-(2-amino-9H-purin-9-yl)ethyl)-1,3-propanediol diacetate 2-[(acetyloxy)methyl]-4-(2-amino-9H-purin-9-yl)butyl acetate 9-[4-acetoxy-3-(acetoxymethyl)but-1-yl]-2-aminopurine BRL-42810 FAMCICLOVIR FCV Famvir acetic acid 2-acetoxymethyl-4-(2-amino-purin-9-yl)-butyl ester famciclovirum
sabiork.compound:9112 sabiorkM:9112 GGXKWVWZWMLJEH-UHFFFAOYSA-N	Famciclovir
kegg.drug:D00317 keggD:D00317 GGXKWVWZWMLJEH-UHFFFAOYSA-N	Famciclovir (JAN/USP/INN) ABBR FCV Famvir (TN)
hmdb:HMDB0014570 GGXKWVWZWMLJEH-UHFFFAOYSA-N	Famciclovir 2-(2-(2-Amino-9H-purin-9-yl)ethyl)-1,3-propanediol diacetate 2-(2-(2-Amino-9H-purin-9-yl)ethyl)-1,3-propanediol diacetic acid 2-[(acetyloxy)methyl]-4-(2-amino-9H-purin-9-yl)butyl acetate 9-(4-Acetoxy-3-(acetoxymethyl)but-1-yl)-2-aminopurine 9-[4-Acetoxy-3-(acetoxymethyl)but-1-yl]-2-aminopurine Acetate 2-acetoxymethyl-4-(2-amino-purin-9-yl)-butyl ester Acetic acid 2-acetoxymethyl-4-(2-amino-purin-9-yl)-butyl ester BRL-42810 FCV Famciclovirum Famvir famciclovir
hmdb:HMDB14570 chebi:174284 keggD:M_D00317	secondary/obsolete/fantasy identifier