EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:17126 - carnitine

ChEBI IDCHEBI:17126
ChEBI Namecarnitine
Stars
DefinitionAn amino-acid betaine that is butanoate substituted with a hydroxy group at position C-3 and a trimethylammonium group at C-4.
Secondary ChEBI IDsCHEBI:11817, CHEBI:13947, CHEBI:20047, CHEBI:23038, CHEBI:29085
Last Modified11 November 2014
DownloadsMolfile
FormulaC7H15NO3
Net Charge0
Average Mass161.201
Monoisotopic Mass161.10519
SMILESC[N+](C)(C)CC(O)CC(=O)[O-]
InChIInChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3
InChIKeyPHIQHXFUZVPYII-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (22770225)
Mus musculus (ncbitaxon:10090) - PubMed (23868375)
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
carnitine (CHEBI:17126) has functional parent butyrate (CHEBI:17968)
carnitine (CHEBI:17126) has role human metabolite (CHEBI:77746)
carnitine (CHEBI:17126) has role mouse metabolite (CHEBI:75771)
carnitine (CHEBI:17126) is a amino-acid betaine (CHEBI:22860)
carnitine (CHEBI:17126) is conjugate base of carnitinium (CHEBI:3424)
Incoming Relation(s)
(11Z,14Z)-eicosadienoylcarnitine (CHEBI:73119) has functional parent carnitine (CHEBI:17126)
(11Z)-eicoseneoylcarnitine (CHEBI:73118) has functional parent carnitine (CHEBI:17126)
(13Z,16Z)-docosadienoylcarnitine (CHEBI:73120) has functional parent carnitine (CHEBI:17126)
(2E,4Z)-decadienoylcarnitine (CHEBI:73047) has functional parent carnitine (CHEBI:17126)
(2E,5Z,7E)-decatrienoylcarnitine (CHEBI:73046) has functional parent carnitine (CHEBI:17126)
(2E)-7-carboxyhept-2-enoylcarnitine (CHEBI:73050) has functional parent carnitine (CHEBI:17126)
(2E)-octenoylcarnitine (CHEBI:73037) has functional parent carnitine (CHEBI:17126)
(5Z)-13-carboxytridec-5-enoylcarnitine (CHEBI:73069) has functional parent carnitine (CHEBI:17126)
(7Z,10Z,13Z,16Z)-docosatetraenoylcarnitine (CHEBI:73122) has functional parent carnitine (CHEBI:17126)
(9Z,12Z,15Z)-3-hydroxyoctadecatrienoylcarnitine (CHEBI:73116) has functional parent carnitine (CHEBI:17126)
(9Z)-3-hydroxydodecenoylcarnitine (CHEBI:73106) has functional parent carnitine (CHEBI:17126)
(9Z)-3-hydroxyoctadecenoylcarnitine (CHEBI:73076) has functional parent carnitine (CHEBI:17126)
O-(11-carboxyundecanoyl)carnitine (CHEBI:73064) has functional parent carnitine (CHEBI:17126)
O-(13-carboxytridecanoyl)carnitine (CHEBI:73071) has functional parent carnitine (CHEBI:17126)
O-(17-carboxyheptadecanoyl)carnitine (CHEBI:73104) has functional parent carnitine (CHEBI:17126)
O-(4,8-dimethylnonanoyl)carnitine (CHEBI:63874) has functional parent carnitine (CHEBI:17126)
O-[(2E)-hexenedioyl]carnitine (CHEBI:73042) has functional parent carnitine (CHEBI:17126)
O-[(7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl]carnitine (CHEBI:73123) has functional parent carnitine (CHEBI:17126)
O-[(9Z)-17-carboxyheptadec-9-enoyl]carnitine (CHEBI:73102) has functional parent carnitine (CHEBI:17126)
O-acetyl-L-carnitine (CHEBI:57589) has functional parent carnitine (CHEBI:17126)
O-acylcarnitine (CHEBI:17387) has functional parent carnitine (CHEBI:17126)
O-arachidonoylcarnitine (CHEBI:73082) has functional parent carnitine (CHEBI:17126)
O-behenoylcarnitine (CHEBI:73105) has functional parent carnitine (CHEBI:17126)
O-icosanoylcarnitine (CHEBI:73100) has functional parent carnitine (CHEBI:17126)
O-linoleoylcarnitine (CHEBI:73072) has functional parent carnitine (CHEBI:17126)
O-methylmalonylcarnitine (CHEBI:73031) has functional parent carnitine (CHEBI:17126)
O-palmitoleoylcarnitine (CHEBI:73066) has functional parent carnitine (CHEBI:17126)
O-pimeloylcarnitine (CHEBI:73049) has functional parent carnitine (CHEBI:17126)
O-sebacoylcarnitine (CHEBI:73057) has functional parent carnitine (CHEBI:17126)
O-succinylcarnitine (CHEBI:73034) has functional parent carnitine (CHEBI:17126)
2-ethylacryloylcarnitine (CHEBI:71180) has functional parent carnitine (CHEBI:17126)
3-hydroxy-cis-5-octenoylcarnitine (CHEBI:73043) has functional parent carnitine (CHEBI:17126)
3-hydroxyarachidonoylcarnitine (CHEBI:73101) has functional parent carnitine (CHEBI:17126)
3-hydroxybutyrylcarnitine (CHEBI:72995) has functional parent carnitine (CHEBI:17126)
3-hydroxydecanoylcarnitine (CHEBI:73051) has functional parent carnitine (CHEBI:17126)
3-hydroxydodecanoylcarnitine (CHEBI:73056) has functional parent carnitine (CHEBI:17126)
3-hydroxyeicosanoylcarnitine (CHEBI:73103) has functional parent carnitine (CHEBI:17126)
3-hydroxyhexadecanoylcarnitine (CHEBI:73070) has functional parent carnitine (CHEBI:17126)
3-hydroxylinoleoylcarnitine (CHEBI:73075) has functional parent carnitine (CHEBI:17126)
3-hydroxyoctadecanoylcarnitine (CHEBI:73077) has functional parent carnitine (CHEBI:17126)
3-hydroxytetradecanoylcarnitine (CHEBI:73063) has functional parent carnitine (CHEBI:17126)
(R)-carnitine (CHEBI:16347) is a carnitine (CHEBI:17126)
(S)-carnitine (CHEBI:11060) is a carnitine (CHEBI:17126)
L-carnitine-d9 (CHEBI:191945) is a carnitine (CHEBI:17126)
carnitinium (CHEBI:3424) is conjugate acid of carnitine (CHEBI:17126)
IUPAC Name 
3-hydroxy-4-(trimethylammonio)butanoate
Synonym  Source
D,L-carnitineMetaCyc
UniProt Name  Source
carnitineUniProt
Manual XrefsDatabases
C00487KEGG COMPOUND
US4255449Patent
US4315944Patent
DB02648DrugBank
DL-CARNITINEMetaCyc
CarnitineWikipedia
Registry NumbersSources
Reaxys:1866665Reaxys
CAS:461-06-3ChemIDplus
Citations