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CHEBI:30766 - (S)-tropic acid

ChEBI IDCHEBI:30766
ChEBI Name(S)-tropic acid
Stars
ASCII Name(S)-tropic acid
Last Modified15 May 2013
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC9H10O3
Net Charge0
Average Mass166.176
Monoisotopic Mass166.06299
SMILESO=C(O)[C@H](CO)c1ccccc1
InChIInChI=1S/C9H10O3/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m1/s1
InChIKeyJACRWUWPXAESPB-MRVPVSSYSA-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)
(S)-tropic acid (CHEBI:30766) has functional parent (R)-hydratropic acid (CHEBI:43035)
(S)-tropic acid (CHEBI:30766) is a tropic acid (CHEBI:30765)
(S)-tropic acid (CHEBI:30766) is enantiomer of (R)-tropic acid (CHEBI:30767)
Incoming Relation(s)
(S)-atropine (CHEBI:17486) has functional parent (S)-tropic acid (CHEBI:30766)
scopolamine (CHEBI:16794) has functional parent (S)-tropic acid (CHEBI:30766)
(R)-tropic acid (CHEBI:30767) is enantiomer of (S)-tropic acid (CHEBI:30766)
IUPAC Name 
(2S)-3-hydroxy-2-phenylpropanoic acid
Registry NumbersSources
Beilstein:2803708Beilstein