CHEBI:171116 - Cervonyl carnitine

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Cervonyl carnitine
ChEBI ID CHEBI:171116
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H45NO4
Net Charge 0
Average Mass 471.682
Monoisotopic Mass 471.33486
InChI InChI=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+
InChIKey WLLMYDQRCSWAST-BUHCESQUSA-N
SMILES O(C(C[N+](C)(C)C)CC([O-])=O)C(=O)CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CC
Metabolite of Species Details
reference compound Found in mixture (CHEBI:60004). of strain [] See: MetaboLights Study
reference compound Found in mixture (CHEBI:60004). of strain [] See: MetaboLights Study
Mus musculus (NCBI:txid10090) Found in Hepa-RG cell (BTO:0005736). of strain C57BL/6J [EFO:0000606] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in HeLa cell;NIH-3T3 cell (BTO:0000944). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in HeLa cell (BTO:0000567). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in NIH-3T3 cell (BTO:0000944). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in Hepa-RG cell (BTO:0005736). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
24765758 ChemSpider
HMDB0006510 HMDB
LMFA07070055 LIPID MAPS
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