2-(1-Ethoxyethoxy)propanoic acid (CHEBI:168422)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	2-(1-Ethoxyethoxy)propanoic acid

ChEBI ID	CHEBI:168422

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C7H14O4

Net Charge

Average Mass

162.185

Monoisotopic Mass

162.08921

InChI

InChI=1S/C7H14O4/c1-4-10-6(3)11-5(2)7(8)9/h5-6H,4H2,1-3H3,(H,8,9)

InChIKey

FRGRNGNKLISCCU-UHFFFAOYSA-N

SMILES

O(C(OCC)C)C(C)C(O)=O

Metabolite of Species	Details
Malus domestica (NCBI:txid3750)	Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	2-(1-Ethoxyethoxy)propanoic acid (CHEBI:168422) is a carboxylic acid (CHEBI:33575)

IUPAC Name

2-(1-ethoxyethoxy)propanoic acid