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1,3,7-trimethylurate

Properties

Image

Occurences in reactions

MNX_ID

MNXM2761

	#reac
in my sandbox	0
in MNXref (generic)	18
in models (compartimentalized)	1

formula

C₈H₁₀N₄O₃

charge

mass

210.07529

reference

InChIKey

BYXCFUMGEBZDDI-UHFFFAOYSA-N

InChI

InChI=1S/C8H10N4O3/c1-10-4-5(9-7(10)14)11(2)8(15)12(3)6(4)13/h1-3H3,(H,9,14)

SMILES

Cn1c(=O)c2c([nH]c(=O)n2C)n(C)c1=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:691622 chebi:691622	1,3,7-trimethylurate 1,3,7-trimethyl-2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trione 1,3,7-trimethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione 1,3,7-trimethyluric acid 7,9-dihydro-1,3,7-trimethyl-1H-purine-2,6,8(3H)-trione 8-oxocaffeine 8-oxy-caffeine
envipath:...09807889c5ea envipathM:...09807889c5ea	1,3,7-Trimethyluric acid
hmdb:HMDB0002123	1,3,7-Trimethyluric acid 1,3, 7-Trimethyluric acid 1,3,7-Trimethyl-7,9-dihydro-1H-purine-2,6,8(3H)-trione 1,3,7-Trimethylate 1,3,7-Trimethylic acid 1,3,7-Trimethylurate 1,3,7-trimethyl-2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trione 1,3,7-trimethyluric acid 2,6,8-Trihydroxy-1,3,7-trimethylpurine 7,9-Dihydro-1,3,7-trimethyl-1H-purine-2,6,8(3H)-trione 8-Hydroxy-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione 8-Oxy-caffeine Trimethyl uric acid
kegg.compound:C16361 keggC:C16361	1,3,7-Trimethyluric acid 1,3,7-Trimethylurate
seed.compound:cpd15077 seedM:cpd15077	1,3,7-Trimethyluric acid 1,3,7-Trimethylurate 1,3,7-trimethylurate 1,3,7-trimethyluric acid
CHEBI:132940 chebi:132940	1,3,7-trimethylurate 1,3,7-trimethylurate anion 1,3,7-trimethyluric acid anion
metacyc.compound:CPD-12480 metacycM:CPD-12480	1,3,7-trimethylurate 1,3,7-trimethyluric acid
hmdb:HMDB02123 keggC:M_C16361 seedM:M_cpd15077	secondary/obsolete/fantasy identifier