CHEBI:19338 - 2,4,6-trioxoheptanoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2,4,6-trioxoheptanoate
ChEBI ID CHEBI:19338
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C7H7O5
Net Charge -1
Average Mass 171.12748
Monoisotopic Mass 171.02990
InChI InChI=1S/C7H8O5/c1-4(8)2-5(9)3-6(10)7(11)12/h2-3H2,1H3,(H,11,12)/p-1
InChIKey VAKFRAZWNDUNDE-UHFFFAOYSA-M
SMILES CC(=O)CC(=O)CC(=O)C([O-])=O
ChEBI Ontology
Outgoing 2,4,6-trioxoheptanoate (CHEBI:19338) has functional parent heptanoate (CHEBI:32362)
2,4,6-trioxoheptanoate (CHEBI:19338) is a trioxo monocarboxylic acid anion (CHEBI:35980)
2,4,6-trioxoheptanoate (CHEBI:19338) is conjugate base of 2,4,6-trioxoheptanoic acid (CHEBI:36554)
Incoming 2,4,6-trioxoheptanoic acid (CHEBI:36554) is conjugate acid of 2,4,6-trioxoheptanoate (CHEBI:19338)
Manual Xref Database
c0157 UM-BBD
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Last Modified
20 September 2006