CHEBI:192604 - 11-Epiprostaglandin E1

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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 11-Epiprostaglandin E1
ChEBI ID CHEBI:192604
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H34O5
Net Charge 0
Average Mass 354.487
Monoisotopic Mass 354.24062
InChI InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16+,17+,19-/m0/s1
InChIKey GMVPRGQOIOIIMI-FZYGRIMQSA-N
SMILES O[C@@H]1[C@@H]([C@@H](CCCCCCC(O)=O)C(=O)C1)/C=C/[C@@H](O)CCCCC
Metabolite of Species Details
Valsa sordida (NCBI:txid252740) Found in Whole Organism (NCIT:C13413). See: MetaboLights Study
ChEBI Ontology
Outgoing 11-Epiprostaglandin E1 (CHEBI:192604) is a prostanoid (CHEBI:26347)
IUPAC Name
7-[(1R,2R,3S)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]heptanoic acid
Manual Xrefs Databases
4446224 ChemSpider
LMFA03010106 LIPID MAPS
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Registry Number Type Source
24570-01-2 CAS Registry Number ChemIDplus