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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:51057 - 3-phenylpropionate
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ChEBI Ontology
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ChEBI Name
3-phenylpropionate
ChEBI ID
CHEBI:51057
Definition
A monocarboxylic acid anion that is the conjugate base of 3-phenylpropionic acid, obtained by deprotonation of the carboxy group.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:20187, CHEBI:20186
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Formula
C9H9O2
Net Charge
-1
Average Mass
149.16656
Monoisotopic Mass
149.06080
InChI
InChI=1S/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)/p-1
InChIKey
XMIIGOLPHOKFCH-UHFFFAOYSA-M
SMILES
[O-]C(=O)CCc1ccccc1
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
See:
PubMed
Roles Classification
Biological Role
(s):
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
3-phenylpropionate (
CHEBI:51057
)
has role
human metabolite (
CHEBI:77746
)
3-phenylpropionate (
CHEBI:51057
)
has role
plant metabolite (
CHEBI:76924
)
3-phenylpropionate (
CHEBI:51057
)
is a
monocarboxylic acid anion (
CHEBI:35757
)
3-phenylpropionate (
CHEBI:51057
)
is conjugate base of
3-phenylpropionic acid (
CHEBI:28631
)
Incoming
(2
R
,3
S
)-piscidate (
CHEBI:192789
)
has functional parent
3-phenylpropionate (
CHEBI:51057
)
3-phenylpropionic acid (
CHEBI:28631
)
is conjugate acid of
3-phenylpropionate (
CHEBI:51057
)
IUPAC Name
3-phenylpropanoate
Synonyms
Sources
3-phenyl propionate
UM-BBD
3-phenylpropanoate
UniProt
Manual Xrefs
Databases
3-PHENYLPROPIONATE
MetaCyc
c0422
UM-BBD
HMDB0000764
HMDB
View more database links
Registry Numbers
Types
Sources
328656
Gmelin Registry Number
Gmelin
4670367
Beilstein Registry Number
Beilstein
4670367
Reaxys Registry Number
Reaxys
Last Modified
09 September 2014