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CHEBI:30765 - tropic acid

ChEBI IDCHEBI:30765
ChEBI Nametropic acid
Stars
DefinitionA 3-hydroxy monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by a phenyl group, and one of the methyl hydrogens is substituted by a hydroxy group.
Secondary ChEBI IDsCHEBI:9756, CHEBI:27157
Last Modified16 July 2015
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC9H10O3
Net Charge0
Average Mass166.176
Monoisotopic Mass166.06299
SMILESO=C(O)C(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)
InChIKeyJACRWUWPXAESPB-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
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)
tropic acid (CHEBI:30765) has functional parent hydratropic acid (CHEBI:48526)
tropic acid (CHEBI:30765) has functional parent propionic acid (CHEBI:30768)
tropic acid (CHEBI:30765) has role human xenobiotic metabolite (CHEBI:76967)
tropic acid (CHEBI:30765) is a 3-hydroxy monocarboxylic acid (CHEBI:35969)
tropic acid (CHEBI:30765) is conjugate acid of tropate (CHEBI:17000)
Incoming Relation(s)
tropan-3α-yl 3-hydroxy-2-phenylpropanoate (CHEBI:78734) has functional parent tropic acid (CHEBI:30765)
(R)-tropic acid (CHEBI:30767) is a tropic acid (CHEBI:30765)
(S)-tropic acid (CHEBI:30766) is a tropic acid (CHEBI:30765)
tropate (CHEBI:17000) is conjugate base of tropic acid (CHEBI:30765)
IUPAC Name 
3-hydroxy-2-phenylpropanoic acid
Synonyms  Source
Tropic acidKEGG COMPOUND
alpha-(Hydroxymethyl)phenylacetic acidKEGG COMPOUND
α-phenyl-β-hydroxypropionic acidNIST Chemistry WebBook
α-(hydroxymethyl)benzeneacetic acidNIST Chemistry WebBook
2-phenylhydracrylic acidChemIDplus
β-hydroxyhydratropic acidNIST Chemistry WebBook
Manual XrefsDatabases
C01456KEGG COMPOUND
Tropic_acidWikipedia
C00035885KNApSAcK
Registry NumbersSources
Reaxys:2209199Reaxys
CAS:552-63-6ChemIDplus
CAS:552-63-6KEGG COMPOUND
Citations