CHEBI:87268 - 2-(carboxyethoxy)propanal

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ChEBI Name 2-(carboxyethoxy)propanal
ChEBI ID CHEBI:87268
Definition An oxo carboxylic acid that is propanal substituted by a carboxyethoxy group at position 2.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C6H10O4
Net Charge 0
Average Mass 146.14120
Monoisotopic Mass 146.05791
InChI InChI=1S/C6H10O4/c1-4(3-7)10-5(2)6(8)9/h3-5H,1-2H3,(H,8,9)
InChIKey PXTAAGVROLGXED-UHFFFAOYSA-N
SMILES CC(OC(C)C(O)=O)C=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 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
Last Modified
16 March 2016