2,8-dioxoadenine (CHEBI:179632)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	2,8-dioxoadenine

ChEBI ID	CHEBI:179632

Definition	An oxopurine that is adenine bearing two oxo substituents at positions 2 and 8.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C5H5N5O2

Net Charge

Average Mass

167.128

Monoisotopic Mass

167.04432

InChI

InChI=1S/C5H5N5O2/c6-2-1-3(9-4(11)7-1)10-5(12)8-2/h(H5,6,7,8,9,10,11,12)

InChIKey

XFBOJHLYDJZYSP-UHFFFAOYSA-N

SMILES

NC1=C2NC(=O)NC2=NC(=O)N1

Metabolite of Species	Details
Macaca fascicularis (NCBI:txid9541)	Species also known as Macaca irus. See: PubMed
Homo sapiens (NCBI:txid9606)	Found in urine (BTO:0001419). See: PubMed
Canis lupus familiaris (NCBI:txid9615)	Found in blood plasma (BTO:0000118). See: PubMed

Roles Classification
Biological Role(s):	nephrotoxic agent A role played by a chemical compound exihibiting itself through the ability to induce damage to the kidney in animals. mammalian metabolite Any animal metabolite produced during a metabolic reaction in mammals. human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples.

ChEBI Ontology
Outgoing	2,8-dioxoadenine (CHEBI:179632) has functional parent adenine (CHEBI:16708) 2,8-dioxoadenine (CHEBI:179632) has role human urinary metabolite (CHEBI:84087) 2,8-dioxoadenine (CHEBI:179632) has role mammalian metabolite (CHEBI:75768) 2,8-dioxoadenine (CHEBI:179632) has role nephrotoxic agent (CHEBI:50909) 2,8-dioxoadenine (CHEBI:179632) is a 6-aminopurines (CHEBI:20706) 2,8-dioxoadenine (CHEBI:179632) is a oxopurine (CHEBI:25810) 2,8-dioxoadenine (CHEBI:179632) is tautomer of 2,8-dihydroxyadenine (CHEBI:183641)

Incoming	2,8-dihydroxyadenine (CHEBI:183641) is tautomer of 2,8-dioxoadenine (CHEBI:179632)

IUPAC Name

6-amino-1H-purine-2,8(7H,9H)-dione

Synonym	Source
2,8-dioxyadenine	ChEBI

Registry Number	Type	Source
30377-37-8	CAS Registry Number	ChemIDplus

Last Modified

11 November 2021