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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:17000 - tropate
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ChEBI Name
tropate
ChEBI ID
CHEBI:17000
Definition
A hydroxy monocarboxylic acid anion that results from the deprotonation of the carboxylic acid group of tropic acid.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:15268, CHEBI:27156
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Formula
C9H9O3
Net Charge
-1
Average Mass
165.16596
Monoisotopic Mass
165.05572
InChI
InChI=1S/C9H10O3/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/p-1
InChIKey
JACRWUWPXAESPB-UHFFFAOYSA-M
SMILES
OCC(C([O-])=O)c1ccccc1
Roles Classification
Biological Role
(s):
human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
tropate (
CHEBI:17000
)
has functional parent
propionate (
CHEBI:17272
)
tropate (
CHEBI:17000
)
has role
human xenobiotic metabolite (
CHEBI:76967
)
tropate (
CHEBI:17000
)
is a
hydroxy monocarboxylic acid anion (
CHEBI:36059
)
tropate (
CHEBI:17000
)
is conjugate base of
tropic acid (
CHEBI:30765
)
Incoming
tropic acid (
CHEBI:30765
)
is conjugate acid of
tropate (
CHEBI:17000
)
IUPAC Name
3-hydroxy-2-phenylpropanoate
Synonym
Source
tropate
UniProt
Manual Xrefs
Databases
C01456
KEGG COMPOUND
TROPATE
MetaCyc
View more database links
Registry Numbers
Types
Sources
329096
Gmelin Registry Number
Gmelin
529-64-6
CAS Registry Number
KEGG COMPOUND
552-63-6
CAS Registry Number
KEGG COMPOUND
Last Modified
04 August 2015