adefovir monophosphate (CHEBI:230667)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	adefovir monophosphate

ChEBI ID	CHEBI:230667

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C8H13N5O7P2

Net Charge

Average Mass

353.168

Monoisotopic Mass

353.02902

InChI

InChI=1S/C8H13N5O7P2/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-19-5-21(14,15)20-22(16,17)18/h3-4H,1-2,5H2,(H,14,15)(H2,9,10,11)(H2,16,17,18)

InChIKey

VQIHLCFUFNQXPS-UHFFFAOYSA-N

SMILES

P(OP(O)(O)=O)(O)(=O)COCCN1C2=NC=NC(N)=C2N=C1

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in feces (BTO:0000440). See: MetaboLights Study

ChEBI Ontology
Outgoing	adefovir monophosphate (CHEBI:230667) is a organic molecular entity (CHEBI:50860)

IUPAC Name

2-(6-aminopurin-9-yl)ethoxymethyl-phosphonooxyphosphinic acid