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CHEBI:149720 - 6-[(1,5-dideoxy-D-ribityl)amino]-5-[(E)-(2-oxopropylidene)amino]uracil

ChEBI IDCHEBI:149720
ChEBI Name6-[(1,5-dideoxy-D-ribityl)amino]-5-[(E)-(2-oxopropylidene)amino]uracil
Stars
ASCII Name6-[(1,5-dideoxy-D-ribityl)amino]-5-[(E)-(2-oxopropylidene)amino]uracil
DefinitionA nucleobase analogue that is uracil substituted with a (1,5-dideoxy-D-ribityl)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
FormulaC12H18N4O6
Net Charge0
Average Mass314.298
Monoisotopic Mass314.12263
SMILESCC(=O)/C=N/c1c(NC[C@H](O)[C@H](O)[C@@H](C)O)nc(=O)nc1=O
InChIInChI=1S/C12H18N4O6/c1-5(17)3-13-8-10(15-12(22)16-11(8)21)14-4-7(19)9(20)6(2)18/h3,6-7,9,18-20H,4H2,1-2H3,(H3,14,15,16,21,22)/b13-3+/t6-,7+,9-/m1/s1
InChIKeySBZWCPXFOHCRKV-BGKDKRHTSA-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-[(1,5-dideoxy-D-ribityl)amino]-5-[(E)-(2-oxopropylidene)amino]uracil (CHEBI:149720) has functional parent uracil (CHEBI:17568)
6-[(1,5-dideoxy-D-ribityl)amino]-5-[(E)-(2-oxopropylidene)amino]uracil (CHEBI:149720) has role epitope (CHEBI:53000)
6-[(1,5-dideoxy-D-ribityl)amino]-5-[(E)-(2-oxopropylidene)amino]uracil (CHEBI:149720) is a nucleobase analogue (CHEBI:67142)
6-[(1,5-dideoxy-D-ribityl)amino]-5-[(E)-(2-oxopropylidene)amino]uracil (CHEBI:149720) is a pyrimidone (CHEBI:38337)
IUPAC Name 
1,5-dideoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol
Synonyms  Source
1,5-dideoxy-1-[[1,2,3,6-tetrahydro-2,6-dioxo-5-[[(1E)-2-oxopropylidene]amino]-4-pyrimidinyl]amino]-D-ribitolChEBI
5'-D-5-OP-RUChEBI
Citations