EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:49779 - (2R,3R,4R,5S)-1-BUTYL-2-(HYDROXYMETHYL)PIPERIDINE-3,4,5-TRIOL

Default Structure
ChEBI IDCHEBI:49779
ChEBI Name(2R,3R,4R,5S)-1-BUTYL-2-(HYDROXYMETHYL)PIPERIDINE-3,4,5-TRIOL
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC10H21NO4
Net Charge0
Average Mass219.281
Monoisotopic Mass219.14706
SMILES[H]OC([H])([H])[C@@]1([H])N(C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])C([H])([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]
InChIInChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9-,10-/m1/s1
InChIKeyUQRORFVVSGFNRO-UTINFBMNSA-N
Wikipedia
ChEBI Ontology
Outgoing Relation(s)
(2R,3R,4R,5S)-1-BUTYL-2-(HYDROXYMETHYL)PIPERIDINE-3,4,5-TRIOL (CHEBI:49779) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2R,3R,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triolPDBeChem
(2R,3R,4R,5S)-1-BUTYL-2-(HYDROXYMETHYL)PIPERIDINE-3,4,5-TRIOLPDBeChem
Manual XrefsDatabases
MiglustatWikipedia
NBVPDBeChem