CHEBI:136818 - N-isovaleryl-L-alanine

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ChEBI Name N-isovaleryl-L-alanine
ChEBI ID CHEBI:136818
ChEBI ASCII Name N-isovaleryl-L-alanine
Definition An N-acyl-L-alanine resulting from the formal condensation of carboxy group of isovaleric acid with the amino group of L-alanine.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C8H15NO3
Net Charge 0
Average Mass 173.210
Monoisotopic Mass 173.10519
InChI InChI=1S/C8H15NO3/c1-5(2)4-7(10)9-6(3)8(11)12/h5-6H,4H2,1-3H3,(H,9,10)(H,11,12)/t6-/m0/s1
InChIKey OJPSNARFDYTAEN-LURJTMIESA-N
SMILES C([C@@H](NC(=O)CC(C)C)C)(=O)O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood serum (BTO:0000133). See: PubMed
Homo sapiens (NCBI:txid9606) Found in blood serum (BTO:0000133). See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): human blood serum metabolite
Any metabolite (endogenous or exogenous) found in human blood serum samples.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing N-isovaleryl-L-alanine (CHEBI:136818) has functional parent isovaleric acid (CHEBI:28484)
N-isovaleryl-L-alanine (CHEBI:136818) has role human blood serum metabolite (CHEBI:85234)
N-isovaleryl-L-alanine (CHEBI:136818) is a N-acyl-L-alanine (CHEBI:83946)
IUPAC Name
N-(3-methylbutanoyl)-L-alanine
Synonyms Sources
(2S)-2-(3-methylbutanamido)propanoic acid IUPAC
isopentanoylalanine ChEBI
isovalerylalanine ChEBI
N-isopentanoyl-L-alanine ChEBI
N-isopentanoylalanine ChEBI
N-isovalerylalanine ChEBI
Manual Xref Database
HMDB0000747 HMDB
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Registry Numbers Types Sources
6289004 Reaxys Registry Number Reaxys
68219-63-6 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
6197208 PubMed citation Europe PMC
Last Modified
16 April 2018