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CHEBI:149753 - 6-[(2-hydroxyethyl)amino]-5-[(E)-(2-oxopropylidene)amino]uracil

ChEBI IDCHEBI:149753
ChEBI Name6-[(2-hydroxyethyl)amino]-5-[(E)-(2-oxopropylidene)amino]uracil
Stars
ASCII Name6-[(2-hydroxyethyl)amino]-5-[(E)-(2-oxopropylidene)amino]uracil
DefinitionA nucleobase analogue that is uracil substituted with a (2-hydroxyethyl)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
FormulaC9H12N4O4
Net Charge0
Average Mass240.219
Monoisotopic Mass240.08585
SMILESCC(=O)/C=N/c1c(NCCO)nc(=O)nc1=O
InChIInChI=1S/C9H12N4O4/c1-5(15)4-11-6-7(10-2-3-14)12-9(17)13-8(6)16/h4,14H,2-3H2,1H3,(H3,10,12,13,16,17)/b11-4+
InChIKeyHVWXIWYEXZLAAS-NYYWCZLTSA-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-[(2-hydroxyethyl)amino]-5-[(E)-(2-oxopropylidene)amino]uracil (CHEBI:149753) has functional parent uracil (CHEBI:17568)
6-[(2-hydroxyethyl)amino]-5-[(E)-(2-oxopropylidene)amino]uracil (CHEBI:149753) has role epitope (CHEBI:53000)
6-[(2-hydroxyethyl)amino]-5-[(E)-(2-oxopropylidene)amino]uracil (CHEBI:149753) is a nucleobase analogue (CHEBI:67142)
6-[(2-hydroxyethyl)amino]-5-[(E)-(2-oxopropylidene)amino]uracil (CHEBI:149753) is a pyrimidone (CHEBI:38337)
IUPAC Name 
6-[(2-hydroxyethyl)amino]-5-[(E)-(2-oxopropylidene)amino]pyrimidine-2,4(1H,3H)-dione
Synonyms  Source
6-[(2-hydroxyethyl)amino]-5-[[(1E)-2-oxopropylidene]amino]-2,4(1H,3H)-pyrimidinedioneChEBI
2'-OH-ethyl-5-OP-UChEBI
Citations