4-Ethoxy-4-oxobutanoic acid (CHEBI:88827)

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CHEBI:88827 - 4-Ethoxy-4-oxobutanoic acid

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ChEBI ID	CHEBI:88827
ChEBI Name	4-Ethoxy-4-oxobutanoic acid
Stars
Last Modified	9 November 2017
Downloads	Molfile

Formula	C6H10O4
Net Charge	0
Average Mass	146.142
Monoisotopic Mass	146.05791
SMILES	CCOC(=O)CCC(=O)O
InChI	InChI=1S/C6H10O4/c1-2-10-6(9)4-3-5(7)8/h2-4H2,1H3,(H,7,8)
InChIKey	LOLKAJARZKDJTD-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	saliva (UBERON:0001836)	Article (Dame, ZT. et al. (2014) The Human Saliva Metabolome (manuscript in preparation))

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	4-Ethoxy-4-oxobutanoic acid (CHEBI:88827) is a fatty acid ester (CHEBI:35748)
	4-Ethoxy-4-oxobutanoic acid (CHEBI:88827) is a hemisuccinate (CHEBI:138979)

Synonyms	Source
4-Ethoxy-4-oxobutanoate	HMDB
4-ethoxy-4-oxobutanoic acid	HMDB

Manual Xrefs	Databases
HMDB0061930	HMDB

Citations