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CHEBI:149748 - 6-[(4-hydroxybutyl)amino]-5-[(E)-(2-oxopropylidene)amino]uracil

ChEBI IDCHEBI:149748
ChEBI Name6-[(4-hydroxybutyl)amino]-5-[(E)-(2-oxopropylidene)amino]uracil
Stars
ASCII Name6-[(4-hydroxybutyl)amino]-5-[(E)-(2-oxopropylidene)amino]uracil
DefinitionA nucleobase analogue that is uracil substituted with a (4-hydroxybutyl)amino group at position 6 and an (E)-(2-oxopropylidene)amino 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
FormulaC11H16N4O4
Net Charge0
Average Mass268.273
Monoisotopic Mass268.11715
SMILESCC(=O)/C=N/c1c(NCCCCO)nc(=O)nc1=O
InChIInChI=1S/C11H16N4O4/c1-7(17)6-13-8-9(12-4-2-3-5-16)14-11(19)15-10(8)18/h6,16H,2-5H2,1H3,(H3,12,14,15,18,19)/b13-6+
InChIKeyOCPAQIZKGXRILZ-AWNIVKPZSA-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-[(4-hydroxybutyl)amino]-5-[(E)-(2-oxopropylidene)amino]uracil (CHEBI:149748) has functional parent uracil (CHEBI:17568)
6-[(4-hydroxybutyl)amino]-5-[(E)-(2-oxopropylidene)amino]uracil (CHEBI:149748) has role epitope (CHEBI:53000)
6-[(4-hydroxybutyl)amino]-5-[(E)-(2-oxopropylidene)amino]uracil (CHEBI:149748) is a nucleobase analogue (CHEBI:67142)
6-[(4-hydroxybutyl)amino]-5-[(E)-(2-oxopropylidene)amino]uracil (CHEBI:149748) is a pyrimidone (CHEBI:38337)
IUPAC Name 
6-[(4-hydroxybutyl)amino]-5-[(E)-(2-oxopropylidene)amino]pyrimidine-2,4(1H,3H)-dione
Synonyms  Source
6-[(4-hydroxybutyl)amino]-5-[[(1E)-2-oxopropylidene]amino]-2,4(1H,3H)-pyrimidinedioneChEBI
4'-OH-butyl-5-OP-UChEBI
Citations