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CHEBI:78397 - 5-(2-oxoethylideneamino)-6-D-ribitylaminouracil

ChEBI IDCHEBI:78397
ChEBI Name5-(2-oxoethylideneamino)-6-D-ribitylaminouracil
Stars
ASCII Name5-(2-oxoethylideneamino)-6-D-ribitylaminouracil
DefinitionAn aminouracil that is D-ribitol in which the hydroxy group at position 1 is substituted by the 6-amino group of 6-amino-5-(2-oxoethylideneamino)uracil. Unstable mucosal-associated invariant T (MAIT)-activating antigen, formed by non-enzymatic reaction between 5-amino-6-D-ribitylaminouracil and glyoxal.
Last Modified25 February 2020
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC11H16N4O7
Net Charge0
Average Mass316.270
Monoisotopic Mass316.10190
SMILES[H]C(=O)/C=N/c1c(NC[C@H](O)[C@H](O)[C@H](O)CO)nc(=O)nc1=O
InChIInChI=1S/C11H16N4O7/c16-2-1-12-7-9(14-11(22)15-10(7)21)13-3-5(18)8(20)6(19)4-17/h1-2,5-6,8,17-20H,3-4H2,(H3,13,14,15,21,22)/b12-1+/t5-,6+,8-/m0/s1
InChIKeyPUEQUELBQOQOOV-GJQDMXJLSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
antigen  Any substance that stimulates an immune response in the body, such as through antibody production or by presentation to a T-cell receptor after binding to a major histocompability complex (MHC).
ChEBI Ontology
Outgoing Relation(s)
5-(2-oxoethylideneamino)-6-D-ribitylaminouracil (CHEBI:78397) has role antigen (CHEBI:59132)
5-(2-oxoethylideneamino)-6-D-ribitylaminouracil (CHEBI:78397) is a aminouracil (CHEBI:22532)
IUPAC Name 
1-deoxy-1-({2,6-dioxo-5-[(E)-(2-oxoethylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol
Synonym  Source
5-OE-RUChEBI
UniProt Name  Source
5-(2-oxoethylideneamino)-6-(D-ribitylamino)uracilUniProt
Manual XrefsDatabases
2L4PDBeChem
Citations