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

ChEBI IDCHEBI:15707
ChEBI Name2,6-dioxo-6-phenylhexanoic acid
Stars
DefinitionA dioxo monocarboxylic acid consisting of 6-phenylhexanoic acid having the two oxo groups at the 2- and 6-positions.
Secondary ChEBI IDsCHEBI:958, CHEBI:11459, CHEBI:19405
Last Modified7 January 2019
DownloadsMolfile
FormulaC12H12O4
Net Charge0
Average Mass220.224
Monoisotopic Mass220.07356
SMILESO=C(O)C(=O)CCCC(=O)c1ccccc1
InChIInChI=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)
InChIKeyWHAWELFEJQCZFJ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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-phenylhexanoateKEGG COMPOUND
Manual XrefsDatabases
C03750KEGG COMPOUND
C03750KEGG COMPOUND