CHEBI:16558 - triacetic acid

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ChEBI Name triacetic acid ChEBI ID CHEBI:16558 Definition A dioxo monocarboxylic acid comprising hexanoic acid with the two oxo groups placed at the 3- and 5-positions. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:15253, CHEBI:9659 Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C6H8O4 Net Charge 0 Average Mass 144.12532 Monoisotopic Mass 144.04226 InChI InChI=1S/C6H8O4/c1-4(7)2-5(8)3-6(9)10/h2-3H2,1H3,(H,9,10) InChIKey ILJSQTXMGCGYMG-UHFFFAOYSA-N SMILES CC(=O)CC(=O)CC(O)=O Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing triacetic acid (CHEBI:16558) is a β-diketone (CHEBI:67265) triacetic acid (CHEBI:16558) is a dioxo monocarboxylic acid (CHEBI:35951) triacetic acid (CHEBI:16558) is conjugate acid of triacetate(1−) (CHEBI:57814) Incoming triacetate(1−) (CHEBI:57814) is conjugate base of triacetic acid (CHEBI:16558) IUPAC Name 3,5-dioxohexanoic acid Synonyms Sources Triacetate KEGG COMPOUND triacetic acid UniProt Manual Xref Database C01757 KEGG COMPOUND View more database links Registry Numbers Types Sources 1761209 Beilstein Registry Number Beilstein 2140-49-0 CAS Registry Number KEGG COMPOUND 2140-49-0 CAS Registry Number ChemIDplus Last Modified 04 August 2014