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CHEBI:184341 - 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-[4-(sulfooxy)phenyl]-

ChEBI IDCHEBI:184341
ChEBI Name2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-[4-(sulfooxy)phenyl]-
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H12N2O7S
Net Charge0
Average Mass328.302
Monoisotopic Mass328.03652
SMILESCCC1(c2ccc(OS(=O)(=O)O)cc2)C(=O)NC(=O)NC1=O
InChIInChI=1S/C12H12N2O7S/c1-2-12(9(15)13-11(17)14-10(12)16)7-3-5-8(6-4-7)21-22(18,19)20/h3-6H,2H2,1H3,(H,18,19,20)(H2,13,14,15,16,17)
InChIKeySBVMQBDFNZJWGL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913)
spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein-Friesian cattle [26105007]
spermatozoon (FMA:67338) MetaboLights (MTBLS1071) Strain: Holstein-Friesian cattle [26105007]
ChEBI Ontology
Outgoing Relation(s)
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-[4-(sulfooxy)phenyl]- (CHEBI:184341) is a aryl sulfate (CHEBI:37919)
IUPAC Name 
[4-(5-ethyl-2,4,6-trioxo-1,3-diazinan-5-yl)phenyl] hydrogen sulate
Manual XrefsDatabases
57476704ChemSpider