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CHEBI:149702 - 6-methyl-5-[(1E)-3-oxobut-1-en-1-yl]uracil

ChEBI IDCHEBI:149702
ChEBI Name6-methyl-5-[(1E)-3-oxobut-1-en-1-yl]uracil
Stars
ASCII Name6-methyl-5-[(1E)-3-oxobut-1-en-1-yl]uracil
DefinitionA nucleobase analogue that is uracil substituted with a methyl group at position 6 and a (1E)-3-oxobut-1-en-1-yl group at position 5; one of 20 modifications to the potent microbial riboflavin-based metabolite antigen 5-(2-oxopropylideneamino)-6-D-ribityl aminouracil (5-OP-RU), an activator of mucosal-associated invariant T (MAIT) cells when presented by the MR1 protein (reported in MED:32123373).
Last Modified14 May 2020
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC9H10N2O3
Net Charge0
Average Mass194.190
Monoisotopic Mass194.06914
SMILESCC(=O)/C=C/c1c(C)nc(=O)nc1=O
InChIInChI=1S/C9H10N2O3/c1-5(12)3-4-7-6(2)10-9(14)11-8(7)13/h3-4H,1-2H3,(H2,10,11,13,14)/b4-3+
InChIKeyBUVNCCASAGRUIE-ONEGZZNKSA-N
Roles Classification
Biological Role:
epitope  The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
ChEBI Ontology
Outgoing Relation(s)
6-methyl-5-[(1E)-3-oxobut-1-en-1-yl]uracil (CHEBI:149702) has functional parent uracil (CHEBI:17568)
6-methyl-5-[(1E)-3-oxobut-1-en-1-yl]uracil (CHEBI:149702) has role epitope (CHEBI:53000)
6-methyl-5-[(1E)-3-oxobut-1-en-1-yl]uracil (CHEBI:149702) is a nucleobase analogue (CHEBI:67142)
6-methyl-5-[(1E)-3-oxobut-1-en-1-yl]uracil (CHEBI:149702) is a pyrimidone (CHEBI:38337)
IUPAC Name 
6-methyl-5-[(1E)-3-oxobut-1-en-1-yl]pyrimidine-2,4(1H,3H)-dione
Synonym  Source
6-methyl-5-[(1E)-3-oxo-1-buten1-yl]-2,4(1H,3H)-pyrimidinedioneChEBI
Citations