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CHEBI:230754 - tetracosatetraenoyl carnitine

Default Structure
ChEBI IDCHEBI:230754
ChEBI Nametetracosatetraenoyl carnitine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H53NO4
Net Charge0
Average Mass503.768
Monoisotopic Mass503.39746
SMILESCCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O[C@@H](CC(=O)[O-])C[N+](C)(C)C
InChIInChI=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
InChIKeyOVCKQONNZPULLZ-FGROWHMVSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
59662743ChemSpider