CHEBI:190660 - U-44069

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name U-44069
ChEBI ID CHEBI:190660
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C21H34O4
Net Charge 0
Average Mass 350.499
Monoisotopic Mass 350.24571
InChI InChI=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
InChIKey DJKDIKIDYDXHDD-IGUVKOCZSA-N
SMILES O1[C@@]2([C@@H]([C@H]([C@@](C2)(C1)[H])/C=C/[C@@H](O)CCCCC)C/C=C\CCCC(O)=O)[H]
Metabolite of Species Details
Rattus norvegicus (NCBI:txid10116) Found in liver (BTO:0000759). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
4470878 ChemSpider
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Registry Number Type Source
56985-32-1 CAS Registry Number ChemIDplus