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CHEBI:190660 - U-44069

ChEBI IDCHEBI:190660
ChEBI NameU-44069
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H34O4
Net Charge0
Average Mass350.499
Monoisotopic Mass350.24571
SMILES[H][C@@]12CO[C@@]([H])(C1)[C@H](C/C=C\CCCC(=O)O)[C@H]2/C=C/[C@@H](O)CCCCC
InChIInChI=1S/C21H34O4/c1-2-3-6-9-17(22)12-13-18-16-14-20(25-15-16)19(18)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17-,18-,19+,20-/m0/s1
InChIKeyDJKDIKIDYDXHDD-IGUVKOCZSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) liver (BTO:0000759) MetaboLights (MTBLS4163)
ChEBI Ontology
Outgoing Relation(s)
U-44069 (CHEBI:190660) is a prostanoid (CHEBI:26347)
IUPAC Name 
(Z)-7-[(1S,4R,5S,6R)-5-[(E,3S)-3-hydroxyoct-1-enyl]-2-oxabicyclo[2.2.1]heptan-6-yl]hept-5-enoic acid
Manual XrefsDatabases
4470878ChemSpider
Registry NumbersSources
CAS:56985-32-1ChemIDplus