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ChEBI
> Main
CHEBI:15707 - 2,6-dioxo-6-phenylhexanoic acid
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ChEBI Ontology
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ChEBI Name
2,6-dioxo-6-phenylhexanoic acid
ChEBI ID
CHEBI:15707
Definition
A dioxo monocarboxylic acid consisting of 6-phenylhexanoic acid having the two oxo groups at the 2- and 6-positions.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:958, CHEBI:11459, CHEBI:19405
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Formula
C12H12O4
Net Charge
0
Average Mass
220.22128
Monoisotopic Mass
220.07356
InChI
InChI=1S/C12H12O4/c13-10(9-5-2-1-3-6-9)7-4-8-11(14)12(15)16/h1-3,5-6H,4,7-8H2,(H,15,16)
InChIKey
WHAWELFEJQCZFJ-UHFFFAOYSA-N
SMILES
OC(=O)C(=O)CCCC(=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
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
2,6-dioxo-6-phenylhexanoic acid (
CHEBI:15707
)
has functional parent
hexanoic acid (
CHEBI:30776
)
2,6-dioxo-6-phenylhexanoic acid (
CHEBI:15707
)
is a
dioxo monocarboxylic acid (
CHEBI:35951
)
2,6-dioxo-6-phenylhexanoic acid (
CHEBI:15707
)
is conjugate acid of
2,6-dioxo-6-phenylhexanoate (
CHEBI:57479
)
Incoming
2,6-dioxo-6-phenylhexanoate (
CHEBI:57479
)
is conjugate base of
2,6-dioxo-6-phenylhexanoic acid (
CHEBI:15707
)
IUPAC Name
2,6-dioxo-6-phenylhexanoic acid
Synonym
Source
2,6-Dioxo-6-phenylhexanoate
KEGG COMPOUND
Manual Xref
Database
C03750
KEGG COMPOUND
View more database links
Last Modified
07 January 2019