EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:87534 - 3-methylbutyl 2-hydroxypropanoate

ChEBI IDCHEBI:87534
ChEBI Name3-methylbutyl 2-hydroxypropanoate
Stars
DefinitionA carboxylic ester obtained by the formal condensation of the carboxy group of 2-hydroxypropanoic acid with the hydroxy group of isoamylol.
Last Modified18 August 2015
Submitternamrata
DownloadsMolfile
FormulaC8H16O3
Net Charge0
Average Mass160.213
Monoisotopic Mass160.10994
SMILESCC(C)CCOC(=O)C(C)O
InChIInChI=1S/C8H16O3/c1-6(2)4-5-11-8(10)7(3)9/h6-7,9H,4-5H2,1-3H3
InChIKeyCRORGGSWAKIXSA-UHFFFAOYSA-N
Roles Classification
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)
3-methylbutyl 2-hydroxypropanoate (CHEBI:87534) has functional parent 2-hydroxypropanoic acid (CHEBI:78320)
3-methylbutyl 2-hydroxypropanoate (CHEBI:87534) has functional parent isoamylol (CHEBI:15837)
3-methylbutyl 2-hydroxypropanoate (CHEBI:87534) has role metabolite (CHEBI:25212)
3-methylbutyl 2-hydroxypropanoate (CHEBI:87534) is a carboxylic ester (CHEBI:33308)
IUPAC Name 
3-methylbutyl 2-hydroxypropanoate
Synonyms  Source
Isoamyl lactateChemIDplus
Isopentyl lactateChemIDplus
Manual XrefsDatabases
HMDB0059825HMDB
WO2011144273Patent
Registry NumbersSources
Reaxys:1703537Reaxys
CAS:19329-89-6ChemIDplus
Citations