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CHEBI:16346 - (S)-1-phenylethanol

ChEBI IDCHEBI:16346
ChEBI Name(S)-1-phenylethanol
Stars
ASCII Name(S)-1-phenylethanol
DefinitionThe (S)-enantiomer of 1-phenylethanol.
Secondary ChEBI IDsCHEBI:370, CHEBI:11025, CHEBI:18726
Last Modified27 January 2016
DownloadsMolfile
FormulaC8H10O
Net Charge0
Average Mass122.167
Monoisotopic Mass122.07316
SMILESC[C@H](O)c1ccccc1
InChIInChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m0/s1
InChIKeyWAPNOHKVXSQRPX-ZETCQYMHSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
(S)-1-phenylethanol (CHEBI:16346) has role mouse metabolite (CHEBI:75771)
(S)-1-phenylethanol (CHEBI:16346) is a 1-phenylethanol (CHEBI:669)
(S)-1-phenylethanol (CHEBI:16346) is enantiomer of (R)-1-phenylethanol (CHEBI:45616)
Incoming Relation(s)
(R)-1-phenylethanol (CHEBI:45616) is enantiomer of (S)-1-phenylethanol (CHEBI:16346)
IUPAC Name 
(1S)-1-phenylethanol
Synonyms  Source
(S)-α-methylbenzenemethanolNIST Chemistry WebBook
(S)-1-Phenethyl alcoholKEGG COMPOUND
(S)-1-PhenylethanolKEGG COMPOUND
UniProt Name  Source
(S)-1-phenylethanolUniProt
Manual XrefsDatabases
c0266UM-BBD
C11348KEGG COMPOUND
SS1PDBeChem
Registry NumbersSources
Reaxys:2039797Reaxys
Gmelin:26803Gmelin
CAS:1445-91-6KEGG COMPOUND
CAS:1445-91-6ChemIDplus
CAS:1445-91-6NIST Chemistry WebBook