CHEBI:87534 - 3-methylbutyl 2-hydroxypropanoate

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ChEBI Name 3-methylbutyl 2-hydroxypropanoate
ChEBI ID CHEBI:87534
Definition A carboxylic ester obtained by the formal condensation of the carboxy group of 2-hydroxypropanoic acid with the hydroxy group of isoamylol.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C8H16O3
Net Charge 0
Average Mass 160.21080
Monoisotopic Mass 160.110
InChI InChI=1S/C8H16O3/c1-6(2)4-5-11-8(10)7(3)9/h6-7,9H,4-5H2,1-3H3
InChIKey CRORGGSWAKIXSA-UHFFFAOYSA-N
SMILES CC(C)CCOC(=O)C(C)O
Roles Classification
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 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 Sources
Isoamyl lactate ChemIDplus
Isopentyl lactate ChemIDplus
Manual Xrefs Databases
HMDB0059825 HMDB
WO2011144273 Patent
View more database links
Registry Numbers Types Sources
1703537 Reaxys Registry Number Reaxys
19329-89-6 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
24830411 PubMed citation Europe PMC
Last Modified
18 August 2015