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CHEBI:230074 - (4Z)-6-[(1S,2R,3R)-3-Hydroxy-2-[(1E,3S,5Z,8Z)-3-hydroxyundeca-1,5,8-trien-1-yl]-5-oxocyclopentyl]hex-4-enoylcarnitine

ChEBI IDCHEBI:230074
ChEBI Name(4Z)-6-[(1S,2R,3R)-3-Hydroxy-2-[(1E,3S,5Z,8Z)-3-hydroxyundeca-1,5,8-trien-1-yl]-5-oxocyclopentyl]hex-4-enoylcarnitine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H45NO7
Net Charge0
Average Mass519.679
Monoisotopic Mass519.31960
SMILESCC/C=C/C/C=C\CC(O)/C=C/C1C(O)CC(=O)C1C/C=C/CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C
InChIInChI=1S/C29H45NO7/c1-5-6-7-8-9-11-14-22(31)17-18-25-24(26(32)20-27(25)33)15-12-10-13-16-29(36)37-23(19-28(34)35)21-30(2,3)4/h6-7,9-12,17-18,22-25,27,31,33H,5,8,13-16,19-21H2,1-4H3/b7-6+,11-9-,12-10+,18-17+
InChIKeyWBRHNAYLXWOVQD-BBINQDQWSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
(4Z)-6-[(1S,2R,3R)-3-Hydroxy-2-[(1E,3S,5Z,8Z)-3-hydroxyundeca-1,5,8-trien-1-yl]-5-oxocyclopentyl]hex-4-enoylcarnitine (CHEBI:230074) is a prostanoid (CHEBI:26347)
IUPAC Name 
3-[(E)-6-[3-hydroxy-2-[(1E,5Z,8E)-3-hydroxyundeca-1,5,8-trienyl]-5-oxocyclopentyl]hex-4-enoyl]oxy-4-(trimethylazaniumyl)butanoate