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Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
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ChEBI
> Main
CHEBI:48527 - (
S
)-hydratropic acid
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ChEBI Name
(
S
)-hydratropic acid
ChEBI ID
CHEBI:48527
ChEBI ASCII Name
(S)-hydratropic acid
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C9H10O2
Net Charge
0
Average Mass
150.17450
Monoisotopic Mass
150.06808
InChI
InChI=1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)/t7-/m0/s1
InChIKey
YPGCWEMNNLXISK-ZETCQYMHSA-N
SMILES
C[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
hydratropic acid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(
S
)-hydratropic acid (
CHEBI:48527
)
is a
hydratropic acid (
CHEBI:48526
)
(
S
)-hydratropic acid (
CHEBI:48527
)
is enantiomer of
(
R
)-hydratropic acid (
CHEBI:43035
)
Incoming
(
R
)-tropic acid (
CHEBI:30767
)
has functional parent
(
S
)-hydratropic acid (
CHEBI:48527
)
dexketoprofen (
CHEBI:76128
)
has functional parent
(
S
)-hydratropic acid (
CHEBI:48527
)
(
R
)-hydratropic acid (
CHEBI:43035
)
is enantiomer of
(
S
)-hydratropic acid (
CHEBI:48527
)
IUPAC Name
(2
S
)-2-phenylpropanoic acid
Synonyms
Sources
(+)-Hydratropasäure
ChEBI
(+)-hydratropic acid
ChEBI
(
S
)-2-phenylpropanoic acid
ChEBI
(
S
)-α-methylbenzeneacetic acid
NIST Chemistry WebBook
Registry Numbers
Types
Sources
1521971
Gmelin Registry Number
Gmelin
2044507
Beilstein Registry Number
Beilstein
4292113
Beilstein Registry Number
Beilstein
7782-24-3
CAS Registry Number
ChemIDplus
7782-24-3
CAS Registry Number
NIST Chemistry WebBook
Last Modified
29 October 2013