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CHEBI:230973 - 7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(3S)-3-hydroxyoctyl]cyclopentyl]heptanoylcarnitine

ChEBI IDCHEBI:230973
ChEBI Name7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(3S)-3-hydroxyoctyl]cyclopentyl]heptanoylcarnitine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H51NO7
Net Charge0
Average Mass501.705
Monoisotopic Mass501.36655
SMILESCCCCCC(O)CCC1C(O)CC(O)C1CCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C
InChIInChI=1S/C27H51NO7/c1-5-6-9-12-20(29)15-16-23-22(24(30)18-25(23)31)13-10-7-8-11-14-27(34)35-21(17-26(32)33)19-28(2,3)4/h20-25,29-31H,5-19H2,1-4H3
InChIKeyJTPMJFFDTWCMDH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(3S)-3-hydroxyoctyl]cyclopentyl]heptanoylcarnitine (CHEBI:230973) is a prostanoid (CHEBI:26347)
IUPAC Name 
3-[7-[3,5-dihydroxy-2-(3-hydroxyoctyl)cyclopentyl]heptanoyloxy]-4-(trimethylazaniumyl)butanoate
Manual XrefsDatabases
HMDB0241885HMDB
128312957ChemSpider