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CHEBI:149728 - 6-[(5-hydroxypentyl)amino]-5-[(E)-(2-oxopropylidene)amino]uracil

ChEBI IDCHEBI:149728
ChEBI Name6-[(5-hydroxypentyl)amino]-5-[(E)-(2-oxopropylidene)amino]uracil
Stars
ASCII Name6-[(5-hydroxypentyl)amino]-5-[(E)-(2-oxopropylidene)amino]uracil
DefinitionA nucleobase analogue that is uracil substituted with a (5-hydroxypentyl)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
FormulaC12H18N4O4
Net Charge0
Average Mass282.300
Monoisotopic Mass282.13281
SMILESCC(=O)/C=N/c1c(NCCCCCO)nc(=O)nc1=O
InChIInChI=1S/C12H18N4O4/c1-8(18)7-14-9-10(13-5-3-2-4-6-17)15-12(20)16-11(9)19/h7,17H,2-6H2,1H3,(H3,13,15,16,19,20)/b14-7+
InChIKeyZSHIZCPIXIPJJT-VGOFMYFVSA-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-[(5-hydroxypentyl)amino]-5-[(E)-(2-oxopropylidene)amino]uracil (CHEBI:149728) has functional parent uracil (CHEBI:17568)
6-[(5-hydroxypentyl)amino]-5-[(E)-(2-oxopropylidene)amino]uracil (CHEBI:149728) has role epitope (CHEBI:53000)
6-[(5-hydroxypentyl)amino]-5-[(E)-(2-oxopropylidene)amino]uracil (CHEBI:149728) is a nucleobase analogue (CHEBI:67142)
6-[(5-hydroxypentyl)amino]-5-[(E)-(2-oxopropylidene)amino]uracil (CHEBI:149728) is a pyrimidone (CHEBI:38337)
IUPAC Name 
6-[(5-hydroxypentyl)amino]-5-[(E)-(2-oxopropylidene)amino]pyrimidine-2,4(1H,3H)-dione
Synonyms  Source
5'-OH-pentyl-5-OP-UChEBI
6-[(5-hydroxypentyl)amino]-5-[[(1E)-2-oxopropylidene]amino]-2,4(1H,3H)-pyrimidinedioneChEBI
Citations