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CHEBI:131887 - O-heptadecanoylcarnitine

Default Structure
ChEBI IDCHEBI:131887
ChEBI NameO-heptadecanoylcarnitine
Stars
ASCII NameO-heptadecanoylcarnitine
DefinitionAn O-acylcarnitine in which the acyl group is specified as heptadecanoyl.
Last Modified6 December 2016
Submittermwilliams
DownloadsMolfile
FormulaC24H47NO4
Net Charge0
Average Mass413.643
Monoisotopic Mass413.35051
SMILESCCCCCCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C
InChIInChI=1S/C24H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(28)29-22(20-23(26)27)21-25(2,3)4/h22H,5-21H2,1-4H3
InChIKeyDWSFAVOTORHAAL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (26368264)
Rattus norvegicus (ncbitaxon:10116)
- MetaboLights (MTBLS303)
- PubMed (26654758)
Roles Classification
Biological Roles:
rat metabolite  Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Application:
biomarker  A substance used as an indicator of a biological state.
ChEBI Ontology
Outgoing Relation(s)
O-heptadecanoylcarnitine (CHEBI:131887) has functional parent heptadecanoic acid (CHEBI:32365)
O-heptadecanoylcarnitine (CHEBI:131887) has role biomarker (CHEBI:59163)
O-heptadecanoylcarnitine (CHEBI:131887) has role human metabolite (CHEBI:77746)
O-heptadecanoylcarnitine (CHEBI:131887) has role rat metabolite (CHEBI:86264)
O-heptadecanoylcarnitine (CHEBI:131887) is a O-acylcarnitine (CHEBI:17387)
IUPAC Name 
3-(heptadecanoyloxy)-4-(trimethylazaniumyl)butanoate
Synonyms  Source
3-Carboxy-N,N,N-trimethyl-2-[(1-oxoheptadecyl)oxy]-1-propanaminium inner saltHMDB
C17 carnitineChEBI
Carnitine heptadecanoateHMDB
heptadecanoylcarnitineChEBI
Heptadecanoyl carnitineHMDB
Manual XrefsDatabases
HMDB0006210HMDB
LMFA07070067LIPID MAPS
Citations