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CHEBI:171116 - Cervonyl carnitine

ChEBI IDCHEBI:171116
ChEBI NameCervonyl carnitine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H45NO4
Net Charge0
Average Mass471.682
Monoisotopic Mass471.33486
SMILESCC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C
InChIInChI=1S/C29H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29(33)34-27(25-28(31)32)26-30(2,3)4/h6-7,9-10,12-13,15-16,18-19,21-22,27H,5,8,11,14,17,20,23-26H2,1-4H3/b7-6+,10-9+,13-12+,16-15+,19-18+,22-21+
InChIKeyWLLMYDQRCSWAST-BUHCESQUSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
HeLa cell (BTO:0000567) MetaboLights (MTBLS78)
NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
HeLa cell;NIH-3T3 cell (BTO:0000944) MetaboLights (MTBLS78)
Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78)
Mus musculus (ncbitaxon:10090) Hepa-RG cell (BTO:0005736) MetaboLights (MTBLS78) Strain: C57BL/6J [EFO:0000606]
ChEBI Ontology
Outgoing Relation(s)
Cervonyl carnitine (CHEBI:171116) is a O-acylcarnitine (CHEBI:17387)
IUPAC Name 
3-[(4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-4-(trimethylazaniumyl)butanoate
Manual XrefsDatabases
HMDB0006510HMDB
24765758ChemSpider
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