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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (S)-1-{1-[1-(2-amino-9H-purin-6-yl)piperidin-4-yl]-1H-1,2,3-triazol-4-yl}ethanol
ChEBI ID CHEBI:156220
ChEBI ASCII Name (S)-1-{1-[1-(2-amino-9H-purin-6-yl)piperidin-4-yl]-1H-1,2,3-triazol-4-yl}ethanol
Definition Piperidine 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C14H19N9O
Net Charge 0
Average Mass 329.368
Monoisotopic Mass 329.17126
InChI InChI=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
InChIKey FPBIDALQDROVOJ-QMMMGPOBSA-N
SMILES C=12C(=NC(=NC1NC=N2)N)N3CCC(CC3)N4N=NC(=C4)[C@H](C)O
ChEBI Ontology
Outgoing (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 Sources
(1S)-1-{1-[1-(2-amino-9H-purin-6-yl)piperidin-4-yl]-1H-1,2,3-triazol-4-yl}ethanol IUPAC
(αS)-1-[1-(2-amino-9H-purin-6-yl)-4-piperidinyl]-α-methyl-1H-1,2,3-triazole-4-methanol ChEBI
(S)-1-(1-(1-(2-amino-9H-purin-6-yl)piperidin-4-yl)-1H-1,2,3-triazol-4-yl)ethanol ChEBI
DB-15 ChEBI
DB15 ChEBI
Citation Waiting for Citations Type Source
32341160 PubMed citation Europe PMC
Last Modified
20 July 2020