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CHEBI:87320 - ethyl 3,3,4-trimethylpentanoate
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ChEBI Name
ethyl 3,3,4-trimethylpentanoate
ChEBI ID
CHEBI:87320
Definition
A carboxylic ester obtained by the formal condensation of the carboxy group of 3,3,4-trimethylpentanoic acid with ethanol.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C10H20O2
Net Charge
0
Average Mass
172.26460
Monoisotopic Mass
172.14633
InChI
InChI=1S/C10H20O2/c1-6-12-9(11)7-10(4,5)8(2)3/h8H,6-7H2,1-5H3
InChIKey
SVZSYBFQSHHBQJ-UHFFFAOYSA-N
SMILES
CCOC(=O)CC(C)(C)C(C)C
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
ethyl 3,3,4-trimethylpentanoate (
CHEBI:87320
)
has role
metabolite (
CHEBI:25212
)
ethyl 3,3,4-trimethylpentanoate (
CHEBI:87320
)
is a
carboxylic ester (
CHEBI:33308
)
IUPAC Name
ethyl 3,3,4-trimethylpentanoate
Synonym
Source
3,3,4-trimethyl-pentanoic acid ethyl ester
ChEBI
Registry Number
Type
Source
4243035
Reaxys Registry Number
Reaxys
Last Modified
06 September 2021