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CHEBI:230329 - (5Z)-7-[(1R)-2-[(1E,3S)-3-Hydroxyoct-1-en-1-yl]-5-oxocyclopent-2-en-1-yl]hept-5-enoylcarnitine

Default Structure
ChEBI IDCHEBI:230329
ChEBI Name(5Z)-7-[(1R)-2-[(1E,3S)-3-Hydroxyoct-1-en-1-yl]-5-oxocyclopent-2-en-1-yl]hept-5-enoylcarnitine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H43NO6
Net Charge0
Average Mass477.642
Monoisotopic Mass477.30904
SMILESCCCCCC(O)/C=C/C1=CCC(=O)C1C/C=C/CCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C
InChIInChI=1S/C27H43NO6/c1-5-6-9-12-22(29)17-15-21-16-18-25(30)24(21)13-10-7-8-11-14-27(33)34-23(19-26(31)32)20-28(2,3)4/h7,10,15-17,22-24,29H,5-6,8-9,11-14,18-20H2,1-4H3/b10-7+,17-15+
InChIKeyDEDOPLKRISPTSV-GUNRCEPCSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
(5Z)-7-[(1R)-2-[(1E,3S)-3-Hydroxyoct-1-en-1-yl]-5-oxocyclopent-2-en-1-yl]hept-5-enoylcarnitine (CHEBI:230329) is a prostanoid (CHEBI:26347)
IUPAC Name 
3-[(E)-7-[2-[(E)-3-hydroxyoct-1-enyl]-5-oxocyclopent-2-en-1-yl]hept-5-enoyl]oxy-4-(trimethylazaniumyl)butanoate