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CHEBI:186814 - (1S,2S)-3-oxo-2-pentyl-cyclopentanehexanoic acid

ChEBI IDCHEBI:186814
ChEBI Name(1S,2S)-3-oxo-2-pentyl-cyclopentanehexanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H28O3
Net Charge0
Average Mass268.397
Monoisotopic Mass268.20384
SMILESCCCCC[C@@H]1C(=O)CC[C@@H]1CCCCCC(=O)O
InChIInChI=1S/C16H28O3/c1-2-3-5-9-14-13(11-12-15(14)17)8-6-4-7-10-16(18)19/h13-14H,2-12H2,1H3,(H,18,19)/t13-,14-/m0/s1
InChIKeyMTWJEFNRVOYKJI-KBPBESRZSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
(1S,2S)-3-oxo-2-pentyl-cyclopentanehexanoic acid (CHEBI:186814) is a prostanoid (CHEBI:26347)
IUPAC Name 
6-[(1S,2S)-3-oxo-2-pentylcyclopentyl]hexanoic acid
Manual XrefsDatabases
17220763ChemSpider
LMFA02010015LIPID MAPS