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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:30766 - (
S
)-tropic acid
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ChEBI Ontology
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ChEBI Name
(
S
)-tropic acid
ChEBI ID
CHEBI:30766
ChEBI ASCII Name
(S)-tropic acid
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C9H10O3
Net Charge
0
Average Mass
166.17390
Monoisotopic Mass
166.06299
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)/t8-/m1/s1
InChIKey
JACRWUWPXAESPB-MRVPVSSYSA-N
SMILES
OC[C@@H](C(O)=O)c1ccccc1
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
(via
tropic acid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(
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
(
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
(2
S
)-3-hydroxy-2-phenylpropanoic acid
Registry Number
Type
Source
2803708
Beilstein Registry Number
Beilstein
Last Modified
15 May 2013