EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:58611 - (±)-5-[3-(tert-butylammonio)-2-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol(1+)

ChEBI IDCHEBI:58611
ChEBI Name(±)-5-[3-(tert-butylammonio)-2-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol(1+)
Stars
ASCII Name(+-)-5-[3-(tert-butylammonio)-2-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol(1+)
DefinitionConjugate acid of (±)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol
Last Modified18 October 2017
DownloadsMolfile
FormulaC17H28NO3
Net Charge+1
Average Mass294.415
Monoisotopic Mass294.20637
SMILESCC(C)(C)[NH2+]CC(O)COc1cccc2c1CCCC2O
InChIInChI=1S/C17H27NO3/c1-17(2,3)18-10-12(19)11-21-16-9-5-6-13-14(16)7-4-8-15(13)20/h5-6,9,12,15,18-20H,4,7-8,10-11H2,1-3H3/p+1
InChIKeyLGXDICLRWHYEIS-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
(±)-5-[3-(tert-butylammonio)-2-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol(1+) (CHEBI:58611) is a ammonium ion derivative (CHEBI:35274)
(±)-5-[3-(tert-butylammonio)-2-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol(1+) (CHEBI:58611) is conjugate acid of (±)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol (CHEBI:29109)
Incoming Relation(s)
(±)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol (CHEBI:29109) is conjugate base of (±)-5-[3-(tert-butylammonio)-2-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol(1+) (CHEBI:58611)
IUPAC Name 
rac-N-tert-butyl-2-hydroxy-3-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]propan-1-aminium
UniProt Name  Source
dihydrobunololUniProt