Butyl 5-[(1R)-1-hydroxyethyl]-gamma-oxofuran-2-butanoate (CHEBI:211011)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:211011 - Butyl 5-[(1R)-1-hydroxyethyl]-gamma-oxofuran-2-butanoate

Take structure to advanced search

ChEBI ID	CHEBI:211011
ChEBI Name	Butyl 5-[(1R)-1-hydroxyethyl]-gamma-oxofuran-2-butanoate
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C14H20O5
Net Charge	0
Average Mass	268.309
Monoisotopic Mass	268.13107
SMILES	CCCCOC(=O)CCC(=O)c1ccc([C@@H](C)O)o1
InChI	InChI=1S/C14H20O5/c1-3-4-9-18-14(17)8-5-11(16)13-7-6-12(19-13)10(2)15/h6-7,10,15H,3-5,8-9H2,1-2H3/t10-/m1/s1
InChIKey	MUODHDJZQZKAKK-SNVBAGLBSA-N

Species of Metabolite	Component	Source	Comments
Diaporthespecies XZ-07 (ncbitaxon:357840)	-	DOI (10.1002/hlca.200800416)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Butyl 5-[(1R)-1-hydroxyethyl]-gamma-oxofuran-2-butanoate (CHEBI:211011) is a oxo carboxylic acid (CHEBI:25754)

IUPAC Name
butyl 4-[5-[(1R)-1-hydroxyethyl]uran-2-yl]-4-oxobutanoate

Manual Xrefs	Databases
78441309	ChemSpider