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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 6-[(5-hydroxypentyl)amino]-5-[(E)-(2-oxopropylidene)amino]uracil
ChEBI ID CHEBI:149728
ChEBI ASCII Name 6-[(5-hydroxypentyl)amino]-5-[(E)-(2-oxopropylidene)amino]uracil
Definition A 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).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C12H18N4O4
Net Charge 0
Average Mass 282.300
Monoisotopic Mass 282.13281
InChI InChI=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+
InChIKey ZSHIZCPIXIPJJT-VGOFMYFVSA-N
SMILES C(CNC1=C(C(NC(N1)=O)=O)/N=C/C(=O)C)CCCO
Roles Classification
Biological Role(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
5'-OH-pentyl-5-OP-U ChEBI
6-[(5-hydroxypentyl)amino]-5-[[(1E)-2-oxopropylidene]amino]-2,4(1H,3H)-pyrimidinedione ChEBI
Citation
Last Modified
14 May 2020