CHEBI:43035 - (R)-hydratropic acid

ChEBI IDCHEBI:43035
ChEBI Name(R)-hydratropic acid
Stars
ASCII Name(R)-hydratropic acid
DefinitionThe (R)-enantiomer of hydratropic acid.
Last Modified26 February 2014
DownloadsMolfile
FormulaC9H10O2
Net Charge0
Average Mass150.177
Monoisotopic Mass150.06808
SMILESC[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)/t7-/m1/s1
InChIKeyYPGCWEMNNLXISK-SSDOTTSWSA-N
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
(R)-hydratropic acid (CHEBI:43035) is a hydratropic acid (CHEBI:48526)
(R)-hydratropic acid (CHEBI:43035) is enantiomer of (S)-hydratropic acid (CHEBI:48527)
Incoming Relation(s)
(S)-tropic acid (CHEBI:30766) has functional parent (R)-hydratropic acid (CHEBI:43035)
(S)-hydratropic acid (CHEBI:48527) is enantiomer of (R)-hydratropic acid (CHEBI:43035)
IUPAC Name 
(2R)-2-phenylpropanoic acid
Synonyms  Source
R-2-PHENYL-PROPRIONIC ACIDPDBeChem
(R)-α-methylbenzeneacetic acidNIST Chemistry WebBook
(R)-2-phenylpropanoic acidChEBI
(−)-hydratropic acidChEBI
(−)-HydratropasäureChEBI
Manual XrefsDatabases
GROPDBeChem
Registry NumbersSources
Beilstein:3588791Beilstein
Gmelin:2404653Gmelin
Reaxys:2207688Reaxys
CAS:7782-26-5ChemIDplus
Citations