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> Main
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.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C8H16O3
Net Charge
0
Average Mass
160.21080
Monoisotopic Mass
160.10994
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.
View more via ChEBI Ontology
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
Type
Source
24830411
PubMed citation
Europe PMC
Last Modified
18 August 2015