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CHEBI:84649 - O-[(5Z)-tetradecenoyl]-L-carnitine

ChEBI IDCHEBI:84649
ChEBI NameO-[(5Z)-tetradecenoyl]-L-carnitine
Stars
ASCII NameO-[(5Z)-tetradecenoyl]-L-carnitine
DefinitionAn O-tetradecenoyl-L-carnitine in which the acyl group is specified as (5Z)-tetradecenoyl.
Last Modified8 February 2017
Submitternhn
DownloadsMolfile
FormulaC21H39NO4
Net Charge0
Average Mass369.546
Monoisotopic Mass369.28791
SMILESCCCCCCCC/C=C\CCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C
InChIInChI=1S/C21H39NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-21(25)26-19(17-20(23)24)18-22(2,3)4/h12-13,19H,5-11,14-18H2,1-4H3/b13-12-/t19-/m1/s1
InChIKeyNNCBVXBBLABOCB-SYGIOELKSA-N
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
O-[(5Z)-tetradecenoyl]-L-carnitine (CHEBI:84649) has functional parent cis-tetradec-5-enoic acid (CHEBI:70716)
O-[(5Z)-tetradecenoyl]-L-carnitine (CHEBI:84649) has role human metabolite (CHEBI:77746)
O-[(5Z)-tetradecenoyl]-L-carnitine (CHEBI:84649) is a O-tetradecenoyl-L-carnitine (CHEBI:85449)
IUPAC Name 
(3R)-3-{[(5Z)-tetradec-5-enoyl]oxy}-4-(trimethylazaniumyl)butanoate
Synonyms  Source
(5Z)-tetradecenoyl-L-carnitineChEBI
cis-5-tetradecenoylcarnitineHMDB
(R)-[(5Z)-tetradecenoyl]carnitineChEBI
UniProt Name  Source
O-(5Z)-tetradecenoyl-(R)-carnitineUniProt
Manual XrefsDatabases
HMDB0002014HMDB
Registry NumbersSources
CAS:835598-21-5HMDB
Citations