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CHEBI:116698 - 5-amino-4a-methyl-1,2,3,4,4a,4b,7,8,8a,8b-decahydro-1,3,6,8-tetraazabiphenylene-2,4,7-trione

ChEBI IDCHEBI:116698
ChEBI Name5-amino-4a-methyl-1,2,3,4,4a,4b,7,8,8a,8b-decahydro-1,3,6,8-tetraazabiphenylene-2,4,7-trione
Stars
DefinitionA member of the class of cyclobutadipyrimidines that is 1,4a,4b,8,8a,8b-hexahydrocyclobuta[1,2-d:4,3-d']dipyrimidine-2,4,7(3H)-trione carrying additional methyl and amino substituents at positions 4a and 5 respectively.
Last Modified13 April 2016
DownloadsMolfile
FormulaC9H11N5O3
Net Charge0
Average Mass237.219
Monoisotopic Mass237.08619
SMILESCC12C(=O)NC(=O)NC1C1NC(=O)N=C(N)C12
InChIInChI=1S/C9H11N5O3/c1-9-2-3(11-7(16)13-5(2)10)4(9)12-8(17)14-6(9)15/h2-4H,1H3,(H3,10,11,13,16)(H2,12,14,15,17)
InChIKeyICHACPCERMCAMT-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)
5-amino-4a-methyl-1,2,3,4,4a,4b,7,8,8a,8b-decahydro-1,3,6,8-tetraazabiphenylene-2,4,7-trione (CHEBI:116698) has role Mycoplasma genitalium metabolite (CHEBI:131604)
5-amino-4a-methyl-1,2,3,4,4a,4b,7,8,8a,8b-decahydro-1,3,6,8-tetraazabiphenylene-2,4,7-trione (CHEBI:116698) is a cyclobutadipyrimidine (CHEBI:38923)
IUPAC Name 
5-amino-4a-methyl-1,4a,4b,8,8a,8b-hexahydrocyclobuta[1,2-d:4,3-d']dipyrimidine-2,4,7(3H)-trione
Synonyms  Source
cyclobutane-cytosine-thymineChEBI
cytosine-thymine cycloadductChEBI
cytosine-thymine dimerChEBI
Citations