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CHEBI:156220 - (S)-1-{1-[1-(2-amino-9H-purin-6-yl)piperidin-4-yl]-1H-1,2,3-triazol-4-yl}ethanol

ChEBI IDCHEBI:156220
ChEBI Name(S)-1-{1-[1-(2-amino-9H-purin-6-yl)piperidin-4-yl]-1H-1,2,3-triazol-4-yl}ethanol
Stars
ASCII Name(S)-1-{1-[1-(2-amino-9H-purin-6-yl)piperidin-4-yl]-1H-1,2,3-triazol-4-yl}ethanol
DefinitionPiperidine carrying a 2-amino-9H-purin-6-yl group on nitrogen and a 4-[(1S)-1-hydroxyethyl]-1H-1,2,3-triazol-1-yl substituent on N-4. One of a series of mucosal-associated invariant T (MAIT) cell agonists.
Last Modified20 July 2020
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC14H19N9O
Net Charge0
Average Mass329.368
Monoisotopic Mass329.17126
SMILESC[C@H](O)c1cn(C2CCN(c3nc(N)nc4ncnc34)CC2)nn1
InChIInChI=1S/C14H19N9O/c1-8(24)10-6-23(21-20-10)9-2-4-22(5-3-9)13-11-12(17-7-16-11)18-14(15)19-13/h6-9,24H,2-5H2,1H3,(H3,15,16,17,18,19)/t8-/m0/s1
InChIKeyFPBIDALQDROVOJ-QMMMGPOBSA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-1-{1-[1-(2-amino-9H-purin-6-yl)piperidin-4-yl]-1H-1,2,3-triazol-4-yl}ethanol (CHEBI:156220) has parent hydride 1H-1,2,3-triazole (CHEBI:35565)
(S)-1-{1-[1-(2-amino-9H-purin-6-yl)piperidin-4-yl]-1H-1,2,3-triazol-4-yl}ethanol (CHEBI:156220) has parent hydride 9H-purine (CHEBI:35589)
(S)-1-{1-[1-(2-amino-9H-purin-6-yl)piperidin-4-yl]-1H-1,2,3-triazol-4-yl}ethanol (CHEBI:156220) is a piperidines (CHEBI:26151)
IUPAC Name 
(1S)-1-{1-[1-(2-amino-9H-purin-6-yl)piperidin-4-yl]-1H-1,2,3-triazol-4-yl}ethan-1-ol
Synonyms  Source
DB-15ChEBI
DB15ChEBI
(1S)-1-{1-[1-(2-amino-9H-purin-6-yl)piperidin-4-yl]-1H-1,2,3-triazol-4-yl}ethanolIUPAC
(S)-1-(1-(1-(2-amino-9H-purin-6-yl)piperidin-4-yl)-1H-1,2,3-triazol-4-yl)ethanolChEBI
(αS)-1-[1-(2-amino-9H-purin-6-yl)-4-piperidinyl]-α-methyl-1H-1,2,3-triazole-4-methanolChEBI
Citations