spiroiminodihydantoin (CHEBI:142623)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	spiroiminodihydantoin

ChEBI ID	CHEBI:142623

Definition	An azaspiro compound that is 1,3,6,8-tetraazaspiro[4.4]non-6-ene which is substituted by oxo groups at positions 2, 4, and 9. Both enantiomers are highly mutagenic products resulting from the oxidation of guanine and 8-oxo-7,8-dihydroguanine in DNA by reactive oxygen species.

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

Submitter	Marija

Supplier Information

Download	Molfile XML SDF

more structures >>

Formula

C5H5N5O3

Net Charge

Average Mass

183.125

Monoisotopic Mass

183.03924

InChI

InChI=1S/C5H5N5O3/c6-3-7-1(11)5(9-3)2(12)8-4(13)10-5/h(H3,6,7,9,11)(H2,8,10,12,13)

InChIKey

HJWQNCPSKFANJK-UHFFFAOYSA-N

SMILES

N1C(NC(C12N=C(NC2=O)N)=O)=O

Roles Classification
Biological Role(s):	mutagen An agent that increases the frequency of mutations above the normal background level, usually by interacting directly with DNA and causing it damage, including base substitution.

ChEBI Ontology
Outgoing	spiroiminodihydantoin (CHEBI:142623) has functional parent hydantoin (CHEBI:27612) spiroiminodihydantoin (CHEBI:142623) has role mutagen (CHEBI:25435) spiroiminodihydantoin (CHEBI:142623) is a azaspiro compound (CHEBI:35624)

IUPAC Name

7-amino-1,3,6,8-tetraazaspiro[4.4]non-6-ene-2,4,9-trione

Last Modified

21 January 2019