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CHEBI:149757 - 6-[(3-hydroxypropyl)amino]-5-[(E)-(2-oxopropylidene)amino]uracil

ChEBI IDCHEBI:149757
ChEBI Name6-[(3-hydroxypropyl)amino]-5-[(E)-(2-oxopropylidene)amino]uracil
Stars
ASCII Name6-[(3-hydroxypropyl)amino]-5-[(E)-(2-oxopropylidene)amino]uracil
DefinitionA nucleobase analogue that is uracil substituted with a (3-hydroxypropyl)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
FormulaC10H14N4O4
Net Charge0
Average Mass254.246
Monoisotopic Mass254.10150
SMILESCC(=O)/C=N/c1c(NCCCO)nc(=O)nc1=O
InChIInChI=1S/C10H14N4O4/c1-6(16)5-12-7-8(11-3-2-4-15)13-10(18)14-9(7)17/h5,15H,2-4H2,1H3,(H3,11,13,14,17,18)/b12-5+
InChIKeyRCQDRIITDZKOID-LFYBBSHMSA-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-[(3-hydroxypropyl)amino]-5-[(E)-(2-oxopropylidene)amino]uracil (CHEBI:149757) has functional parent uracil (CHEBI:17568)
6-[(3-hydroxypropyl)amino]-5-[(E)-(2-oxopropylidene)amino]uracil (CHEBI:149757) has role epitope (CHEBI:53000)
6-[(3-hydroxypropyl)amino]-5-[(E)-(2-oxopropylidene)amino]uracil (CHEBI:149757) is a nucleobase analogue (CHEBI:67142)
6-[(3-hydroxypropyl)amino]-5-[(E)-(2-oxopropylidene)amino]uracil (CHEBI:149757) is a pyrimidone (CHEBI:38337)
IUPAC Name 
6-[(3-hydroxypropyl)amino]-5-[(E)-(2-oxopropylidene)amino]pyrimidine-2,4(1H,3H)-dione
Synonyms  Source
3'-OH-propyl-5-OP-UChEBI
6-[(3-hydroxypropyl)amino]-5-[[(1E)-2-oxopropylidene]amino]-2,4(1H,3H)-pyrimidinedioneChEBI
Citations