EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:73026 - 2-methylbutyrylcarnitine

ChEBI IDCHEBI:73026
ChEBI Name2-methylbutyrylcarnitine
Stars
DefinitionA C5-acylcarnitine having 2-methylbutyryl as the acyl substituent.
Last Modified23 October 2015
Submittermwilliams
DownloadsMolfile
FormulaC12H23NO4
Net Charge0
Average Mass245.319
Monoisotopic Mass245.16271
SMILESCCC(C)C(=O)OC(CC(=O)[O-])C[N+](C)(C)C
InChIInChI=1S/C12H23NO4/c1-6-9(2)12(16)17-10(7-11(14)15)8-13(3,4)5/h9-10H,6-8H2,1-5H3
InChIKeyIHCPDBBYTYJYIL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (20591710)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
2-methylbutyrylcarnitine (CHEBI:73026) has functional parent 2-methylbutyric acid (CHEBI:37070)
2-methylbutyrylcarnitine (CHEBI:73026) has role human metabolite (CHEBI:77746)
2-methylbutyrylcarnitine (CHEBI:73026) is a C5-acylcarnitine (CHEBI:86492)
Incoming Relation(s)
(R)-2-methylbutyrylcarnitine (CHEBI:84840) is a 2-methylbutyrylcarnitine (CHEBI:73026)
IUPAC Name 
3-[(2-methylbutanoyl)oxy]-4-(trimethylazaniumyl)butanoate
Synonyms  Source
2-MethylbutyroylcarnitineHMDB
3-[(2-methylbutanoyl)oxy]-4-(trimethylammonio)butanoateIUPAC
Manual XrefsDatabases
HMDB0000378HMDB
Registry NumbersSources
Reaxys:14843080Reaxys
CAS:31023-25-3HMDB
Citations