CHEBI:230754 - tetracosatetraenoyl 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 tetracosatetraenoyl carnitine
ChEBI ID CHEBI:230754
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H53NO4
Net Charge 0
Average Mass 503.768
Monoisotopic Mass 503.39746
InChI InChI=1S/C31H53NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-31(35)36-29(27-30(33)34)28-32(2,3)4/h9-10,12-13,15-16,18-19,29H,5-8,11,14,17,20-28H2,1-4H3/b10-9+,13-12+,16-15+,19-18+/t29-/m0/s1
InChIKey OVCKQONNZPULLZ-FGROWHMVSA-N
SMILES O([C@H](C[N+](C)(C)C)CC([O-])=O)C(=O)CCCCCCC/C=C/C/C=C/C\C=C\C\C=C\CCCCC
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing tetracosatetraenoyl carnitine (CHEBI:230754) is a organic molecular entity (CHEBI:50860)
IUPAC Name
(3S)-3-[(9E,12E,15E,18E)-tetracosa-9,12,15,18-tetraenoyl]oxy-4-(trimethylazaniumyl)butanoate
Manual Xref Database
59662743 ChemSpider
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