LIPID MAPS

Structure Database (LMSD)

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Common Name

5,6-dihydroxy PGE1

Systematic Name

9-oxo-5,6,11R,15S-tetrahydroxy-13E-prostaenoic acid

Synonyms

5,6-dihydroxyprostaglandin E1

LM ID

LMFA03010278

Formula

C₂₀H₃₄O₇

Exact Mass

Calculate m/z

386.230456

Sum Composition

FA 20:3;O5

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Capra hircus (#9925)

Mammalia (#40674)

Biosynthesis of 5,6-dihydroxyprostaglandin E1 and F1 alpha from 5,6-dihydroxyeicosatrienoic acid by ram seminal vesicles.,
Biochim Biophys Acta, 1984

Pubmed ID: 6548162

String Representations

InChiKey (Click to copy)

WHDGPBGXORYVJU-ZQTGKMASSA-N

InChi (Click to copy)

InChI=1S/C20H34O7/c1-2-3-4-6-13(21)9-10-14-15(18(24)12-17(14)23)11-19(25)16(22)7-5-8-20(26)27/h9-10,13-17,19,21-23,25H,2-8,11-12H2,1H3,(H,26,27)/b10-9+/t13-,14+,15+,16?,17+,19?/m0/s1

SMILES (Click to copy)

[C@H]1(/C=C/[C@@H](O)CCCCC)[C@H](O)CC(=O)[C@@H]1CC(O)C(O)CCCC(=O)O

Other Databases

PubChem CID

6444125

Calculated Physicochemical Properties

Heavy Atoms 27

Rings 1

Aromatic Rings

Rotatable Bonds 13

Van der Waals Molecular Volume 395.81

Topological Polar Surface Area 135.29

Hydrogen Bond Donors 5

Hydrogen Bond Acceptors 7

logP 2.56

Molar Refractivity 102.07

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Created at

1st Aug 2025

Updated at