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CHEBI:87268 - 2-(carboxyethoxy)propanal

ChEBI IDCHEBI:87268
ChEBI Name2-(carboxyethoxy)propanal
Stars
DefinitionAn oxo carboxylic acid that is propanal substituted by a carboxyethoxy group at position 2.
Last Modified16 March 2016
Submitternamrata
DownloadsMolfile
FormulaC6H10O4
Net Charge0
Average Mass146.142
Monoisotopic Mass146.05791
SMILES[H]C(=O)C(C)OC(C)C(=O)O
InChIInChI=1S/C6H10O4/c1-4(3-7)10-5(2)6(8)9/h3-5H,1-2H3,(H,8,9)
InChIKeyPXTAAGVROLGXED-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
2-(carboxyethoxy)propanal (CHEBI:87268) has role metabolite (CHEBI:25212)
2-(carboxyethoxy)propanal (CHEBI:87268) is a aldehyde (CHEBI:17478)
2-(carboxyethoxy)propanal (CHEBI:87268) is a ether (CHEBI:25698)
2-(carboxyethoxy)propanal (CHEBI:87268) is a oxo carboxylic acid (CHEBI:25754)
IUPAC Name 
2-[(1-oxopropan-2-yl)oxy]propanoic acid