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CHEBI:78398 - 5-(2-oxopropylideneamino)-6-D-ribitylaminouracil

ChEBI IDCHEBI:78398
ChEBI Name5-(2-oxopropylideneamino)-6-D-ribitylaminouracil
Stars
ASCII Name5-(2-oxopropylideneamino)-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-oxopropylideneamino)uracil. Unstable mucosal-associated invariant T (MAIT)-activating antigen, formed by non-enzymatic reaction between 5-amino-6-D-ribitylaminouracil and methylglyoxal.
Last Modified25 February 2020
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC12H18N4O7
Net Charge0
Average Mass330.297
Monoisotopic Mass330.11755
SMILESCC(=O)/C=N/c1c(NC[C@H](O)[C@H](O)[C@H](O)CO)nc(=O)nc1=O
InChIInChI=1S/C12H18N4O7/c1-5(18)2-13-8-10(15-12(23)16-11(8)22)14-3-6(19)9(21)7(20)4-17/h2,6-7,9,17,19-21H,3-4H2,1H3,(H3,14,15,16,22,23)/b13-2+/t6-,7+,9-/m0/s1
InChIKeyLXKLTDXEFFOBPT-CEKOQDAHSA-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-oxopropylideneamino)-6-D-ribitylaminouracil (CHEBI:78398) has role antigen (CHEBI:59132)
5-(2-oxopropylideneamino)-6-D-ribitylaminouracil (CHEBI:78398) is a aminouracil (CHEBI:22532)
IUPAC Name 
1-deoxy-1-({2,6-dioxo-5-[(EE)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol
Synonym  Source
5-OP-RUChEBI
UniProt Name  Source
5-(2-oxopropylideneamino)-6-(D-ribitylamino)uracilUniProt
Manual XrefsDatabases
2LJPDBeChem
Citations