EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:149670 - (S)-phenylacetylcarbinol

ChEBI IDCHEBI:149670
ChEBI Name(S)-phenylacetylcarbinol
Stars
ASCII Name(S)-phenylacetylcarbinol
DefinitionA 1-hydroxy-1-phenylpropan-2-one that has (S)-configuration.
Last Modified18 May 2020
SubmitterAnne Morgat
DownloadsMolfile
FormulaC9H10O2
Net Charge0
Average Mass150.177
Monoisotopic Mass150.06808
SMILESCC(=O)[C@@H](O)c1ccccc1
InChIInChI=1S/C9H10O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-6,9,11H,1H3/t9-/m1/s1
InChIKeyZBFFNPODXBJBPW-SECBINFHSA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-phenylacetylcarbinol (CHEBI:149670) is a 1-hydroxy-1-phenylpropan-2-one (CHEBI:149767)
(S)-phenylacetylcarbinol (CHEBI:149670) is enantiomer of (R)-phenylacetylcarbinol (CHEBI:149671)
Incoming Relation(s)
rac-phenylacetylcarbinol (CHEBI:149766) has part (S)-phenylacetylcarbinol (CHEBI:149670)
(R)-phenylacetylcarbinol (CHEBI:149671) is enantiomer of (S)-phenylacetylcarbinol (CHEBI:149670)
IUPAC Name 
(1S)-1-hydroxy-1-phenylpropan-2-one
Synonyms  Source
(S)-1-hydroxy-1-phenylpropan-2-oneSUBMITTER
(S)-PACMetaCyc
(S)-(+)-phenylacetylcarbinolChEBI
(+)-phenylacetylcarbinolChemIDplus
(S)-1-hydroxy-1-phenyl-2-propanoneChemIDplus
(1S)-phenylacetylcarbinolChEBI
UniProt Name  Source
(S)-phenylacetylcarbinolUniProt
Manual XrefsDatabases
CPD-22733MetaCyc
Registry NumbersSources
CAS:53439-91-1ChemIDplus
Citations