11-Epiprostaglandin E1

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Systematic / IUPAC Name: (11β,13E,15S)-11,15-Dihydroxy-9-oxoprost-13-en-1-oic acid

ID: Reference9773

Other Names: 11-β-PGE1;
11-β-Prostaglandin E1;
9-Oxo-11S,15S-dihydroxy-13E-prostaenoic acid;
Prost-13-en-1-oic acid, 11,15-dihydroxy-9-oxo-, (11β,13E,15S)-;
11-epi PGE1

Formula: C20H34O5

Class: Endogenous Metabolites

Spectral Data

11-Epiprostaglandin E1 mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion with FAIMS
No. of Spectral Trees 2
No. of Spectra 1541
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 6/22/2020 4:28:19 PM
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Identificators

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
InChI Key GMVPRGQOIOIIMI-FZYGRIMQSA-N
Canonical SMILES CCCCCC(C=CC1C(CC(=O)C1CCCCCCC(=O)O)O)O
CAS 24570012
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Other Names 11-β-PGE1;
11-β-Prostaglandin E1;
9-Oxo-11S,15S-dihydroxy-13E-prostaenoic acid;
Prost-13-en-1-oic acid, 11,15-dihydroxy-9-oxo-, (11β,13E,15S)-;
11-epi PGE1;
9-oxo-11β,15S-dihydroxy-prost-13E-en-1-oic acid

In Other Databases

ChemSpider 4446224
PubChem 5283098