EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:43862 - (2S)-2-AMINO-4-(METHYLSULFANYL)-1-PYRIDIN-2-YLBUTANE-1,1-DIOL

Default Structure
ChEBI IDCHEBI:43862
ChEBI Name(2S)-2-AMINO-4-(METHYLSULFANYL)-1-PYRIDIN-2-YLBUTANE-1,1-DIOL
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC10H16N2O2S
Net Charge0
Average Mass228.317
Monoisotopic Mass228.09325
SMILES[H]OC(O[H])(c1nc([H])c([H])c([H])c1[H])[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])SC([H])([H])[H]
InChIInChI=1S/C10H16N2O2S/c1-15-7-5-8(11)10(13,14)9-4-2-3-6-12-9/h2-4,6,8,13-14H,5,7,11H2,1H3/t8-/m0/s1
InChIKeyJPZQHIBHGCCNKS-QMMMGPOBSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S)-2-AMINO-4-(METHYLSULFANYL)-1-PYRIDIN-2-YLBUTANE-1,1-DIOL (CHEBI:43862) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2S)-2-amino-4-(methylsulfanyl)-1-pyridin-2-ylbutane-1,1-diolPDBeChem
(2S)-2-AMINO-4-(METHYLSULFANYL)-1-PYRIDIN-2-YLBUTANE-1,1-DIOLPDBeChem
Manual XrefsDatabases
M2CPDBeChem