CHEBI:15707 - 2,6-dioxo-6-phenylhexanoic acid

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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
Supplier Information
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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 (Bronsted base).
(via oxoacid )
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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
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Last Modified
07 January 2019