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CHEBI:230920 - (5Z)-7-[(1S,5E)-5-[(2E)-Oct-2-en-1-ylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoylcarnitine

ChEBI IDCHEBI:230920
ChEBI Name(5Z)-7-[(1S,5E)-5-[(2E)-Oct-2-en-1-ylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoylcarnitine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H41NO5
Net Charge0
Average Mass459.627
Monoisotopic Mass459.29847
SMILESCCCCC/C=C/C=C1\C(=O)C=CC1C/C=C/CCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C
InChIInChI=1S/C27H41NO5/c1-5-6-7-8-9-13-16-24-22(18-19-25(24)29)15-12-10-11-14-17-27(32)33-23(20-26(30)31)21-28(2,3)4/h9-10,12-13,16,18-19,22-23H,5-8,11,14-15,17,20-21H2,1-4H3/b12-10+,13-9+,24-16-
InChIKeyYJNDLUQGHWGUSL-XBDVMABXSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
(5Z)-7-[(1S,5E)-5-[(2E)-Oct-2-en-1-ylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoylcarnitine (CHEBI:230920) is a prostanoid (CHEBI:26347)
IUPAC Name 
3-[(E)-7-[(5Z)-5-[(E)-oct-2-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoyl]oxy-4-(trimethylazaniumyl)butanoate