Prostaglandin H1

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Systematic / IUPAC Name: 7-{(1R,4S,5R,6R)-6-[(1E,3S)-3-Hydroxy-1-octen-1-yl]-2,3-dioxabicyclo[2.2.1]hept-5-yl}heptanoic acid

ID: Reference9784

Other Names: PGH1;
7-{(1R,4S,5R,6R)-6-[(1E,3S)-3-Hydroxyoct-1-en-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl}heptanoic acid;
9,11-epi-Dioxy-15-hydroxy-(9α,11α,13E,15S)-prost-13-en-1-oic acid;
9α,11α-Epidioxy-15(S)-hydroxy-13-trans-prostenoic acid;
9S,11R-Epidioxy-15S-hydroxy-13E-prostaenoic acid

Formula: C20H34O5

Class: Endogenous Metabolites

Spectral Data

Prostaglandin H1 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 3140
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 6/22/2020 4:40:01 PM
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Identificators

InChI InChI=1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-19(17)25-24-18)10-7-4-5-8-11-20(22)23/h12-13,15-19,21H,2-11,14H2,1H3,(H,22,23)/b13-12+/t15-,16+,17+,18-,19+/m0/s1
InChI Key NTAYABHEVAQSJS-CDIPTNKSSA-N
Canonical SMILES CCCCCC(C=CC1C2CC(C1CCCCCCC(=O)O)OO2)O
CAS 52589227
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Other Names PGH1;
7-{(1R,4S,5R,6R)-6-[(1E,3S)-3-Hydroxyoct-1-en-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl}heptanoic acid;
9,11-epi-Dioxy-15-hydroxy-(9α,11α,13E,15S)-prost-13-en-1-oic acid;
9α,11α-Epidioxy-15(S)-hydroxy-13-trans-prostenoic acid;
9S,11R-Epidioxy-15S-hydroxy-13E-prostaenoic acid

In Other Databases

ChemSpider 4446175
ChEBI CHEBI:91133
PubChem 5283048