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CHEBI:116510 - 4,5-diamino-1,2,4a,4b,7,8,8a,8b-octahydro-1,3,6,8-tetraazabiphenylene-2,7-dione

ChEBI IDCHEBI:116510
ChEBI Name4,5-diamino-1,2,4a,4b,7,8,8a,8b-octahydro-1,3,6,8-tetraazabiphenylene-2,7-dione
Stars
DefinitionA member of the class of cyclobutadipyrimidines that is 1,4a,4b,8,8a,8b-hexahydrocyclobuta[1,2-d:4,3-d']dipyrimidine-2,7-dione carrying two additional amino substituents at positions 4 and 5.
Last Modified13 April 2016
DownloadsMolfile
FormulaC8H10N6O2
Net Charge0
Average Mass222.208
Monoisotopic Mass222.08652
SMILESNC1=NC(=O)NC2C3NC(=O)N=C(N)C3C12
InChIInChI=1S/C8H10N6O2/c9-5-1-2-4(3(1)11-7(15)13-5)12-8(16)14-6(2)10/h1-4H,(H3,9,11,13,15)(H3,10,12,14,16)
InChIKeyQSUXHMJFIWLEKE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mycoplasma genitalium (ncbitaxon:2097) - PubMed (22817898)
Roles Classification
Biological Role:
Mycoplasma genitalium metabolite  Any bacterial metabolite produced during a metabolic reaction in Mycoplasma genitalium.
ChEBI Ontology
Outgoing Relation(s)
4,5-diamino-1,2,4a,4b,7,8,8a,8b-octahydro-1,3,6,8-tetraazabiphenylene-2,7-dione (CHEBI:116510) has role Mycoplasma genitalium metabolite (CHEBI:131604)
4,5-diamino-1,2,4a,4b,7,8,8a,8b-octahydro-1,3,6,8-tetraazabiphenylene-2,7-dione (CHEBI:116510) is a cyclobutadipyrimidine (CHEBI:38923)
IUPAC Name 
4,5-diamino-1,4a,4b,8,8a,8b-hexahydrocyclobuta[1,2-d:4,3-d']dipyrimidine-2,7-dione
Synonyms  Source
cyclobutane cytosine dimerChEBI
cytosine dimerChEBI
Registry NumbersSources
Reaxys:925113Reaxys
Citations