ChEBI

CHEBI:156207 - 2-amino-4-{[(3-carbamoyl-1,2,4-oxadiazol-5-yl)methyl]amino}-6-isopropylpyrimidin-1-ium

ChEBI Name 2-amino-4-{[(3-carbamoyl-1,2,4-oxadiazol-5-yl)methyl]amino}-6-isopropylpyrimidin-1-ium ChEBI ID CHEBI:156207 Definition An aminopyrimidine, protonated on N-1, substituted with an isopropyl group at C-6 and carrying a (3-carbamoyl-1,2,4-oxadiazol-5-yl)methyl substituent on the amino group at C-4. One of a series of mucosal-associated invariant T (MAIT) cell agonists. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C11H16N7O2 Net Charge +1 Average Mass 278.295 Monoisotopic Mass 278.13600 InChI InChI=1S/C11H15N7O2/c1-5(2)6-3-7(16-11(13)15-6)14-4-8-17-10(9(12)19)18-20-8/h3,5H,4H2,1-2H3,(H2,12,19)(H3,13,14,15,16)/p+1 InChIKey VHXNFYRGASTUJU-UHFFFAOYSA-O SMILES C=1([NH+]=C(C=C(N1)NCC=2ON=C(N2)C(N)=O)C(C)C)N Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Biological Role(s): MAIT cell agonist An agonist that selectively binds to and activates mucosal associated invariant T cells (MAIT cells). View more via ChEBI Ontology ChEBI Ontology Outgoing 2-amino-4-{[(3-carbamoyl-1,2,4-oxadiazol-5-yl)methyl]amino}-6-isopropylpyrimidin-1-ium (CHEBI:156207) has functional parent pyrimidine-2,4-diamine (CHEBI:43745) 2-amino-4-{[(3-carbamoyl-1,2,4-oxadiazol-5-yl)methyl]amino}-6-isopropylpyrimidin-1-ium (CHEBI:156207) has role MAIT cell agonist (CHEBI:156211) 2-amino-4-{[(3-carbamoyl-1,2,4-oxadiazol-5-yl)methyl]amino}-6-isopropylpyrimidin-1-ium (CHEBI:156207) is a aminopyrimidine (CHEBI:38338) IUPAC Name 2-amino-4-{[(3-carbamoyl-1,2,4-oxadiazol-5-yl)methyl]amino}-6-(propan-2-yl)pyrimidin-1-ium Synonyms Sources 2-amino-4-(((3-carbamoyl-1,2,4-oxadiazol-5-yl)methyl)amino)-6-isopropylpyrimidin-1-ium ChEBI 5-[[[2-amino-6-(1-methylethyl)-4-pyrimidinyl]amino]methyl]-1,2,4-oxadiazole-3-carboxamide, conjugate monoacid ChEBI DB-5 ChEBI DB05 ChEBI DB5 ChEBI Citation Type Source 32341160 PubMed citation Europe PMC Last Modified 17 July 2020