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adefovir

Properties Image MNX_ID MNXM40256 reference chebi:2469 formula C8H12N5O4P global charge 0 mol weight 273.189 InChIKey SUPKOOSCJHTBAH-UHFFFAOYSA-N InChI InChI=1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16) SMILES Nc1ncnc2c1ncn2CCOCP(=O)(O)O MNX internals InChI (mnx) InChI=1/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16) SMILES (mnx) [CH2:1]([CH2:2][O:17][CH2:5][P:18]([OH:14])(=[O:15])[OH:16])[n:13]1[cH:4][n:12][c:6]2[c:7]([NH2:9])[n:10][cH:3][n:11][c:8]21

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 0

Similar chemical compounds in external resources

Identifier	Description
CHEBI:2469 chebi:2469 SUPKOOSCJHTBAH-UHFFFAOYSA-N	adefovir 9-(2-(Phosphonomethoxy)ethyl)adenine 9-(2-Phosphonylmethoxyethyl)adenine Adefovir DRG-0156 GS 0393 GS 393 GS-0393 HSDB 8079 N-(2-Phosphonylmethoxyethyl)adenine PMEA {[2-(6-amino-9H-purin-9-yl)ethoxy]methyl}phosphonic acid
kegg.drug:D02768 keggD:D02768 SUPKOOSCJHTBAH-UHFFFAOYSA-N	Adefovir (USAN/INN)
sabiork.compound:13349 sabiorkM:13349 kegg.compound:C11277 keggC:C11277 SUPKOOSCJHTBAH-UHFFFAOYSA-N	Adefovir 9-(2-Phosphonylmethoxyethyl)adenine PMEA
seed.compound:cpd08138 seedM:cpd08138 SUPKOOSCJHTBAH-UHFFFAOYSA-M	PMEA 9-(2-Phosphonylmethoxyethyl)adenine Adefovir
vmhM:adfvr vmhM:adfvr vmhmetabolite:adfvr vmhmetabolite:adfvr SUPKOOSCJHTBAH-UHFFFAOYSA-M	adefovir
CHEBI:134512 chebi:134512 SUPKOOSCJHTBAH-UHFFFAOYSA-M	adefovir(1-) adefovir hydrogen {[2-(6-amino-9H-purin-9-yl)ethoxy]methyl}phosphonate
chebi:40188 keggC:M_C11277 keggD:M_D02768 seedM:M_cpd08138 vmhM:M_adfvr	secondary/obsolete/fantasy identifier