LIPID MAPS

Structure Database (LMSD)

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Common Name

5,6-dihydroxy-PGB1

Systematic Name

9-oxo-5,6,15S-trihydroxy-8(12),13E-prostadienoic acid

Synonyms

5,6-dihydroxy-Prostaglandin B1

LM ID

LMFA03010311

Formula

C₂₀H₃₂O₆

Exact Mass

Calculate m/z

368.219891

Sum Composition

FA 20:4;O4

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Ovis aries (#9940)

Mammalia (#40674)

Metabolism of 5(6)-expoxyeicosatrienoic acid by ram seminal vesicles. Formation of novel prostaglandin E1 metabolites.,
Biochim Biophys Acta, 1984

Pubmed ID: 6538799

DOI: 10.1016/0005-2760(84)90256-x

String Representations

InChiKey (Click to copy)

XSQHONVVBTUHJM-DNYCPFNASA-N

InChi (Click to copy)

InChI=1S/C20H32O6/c1-2-3-4-6-15(21)11-9-14-10-12-17(22)16(14)13-19(24)18(23)7-5-8-20(25)26/h9,11,15,18-19,21,23-24H,2-8,10,12-13H2,1H3,(H,25,26)/b11-9+/t15-,18?,19?/m0/s1

SMILES (Click to copy)

C1(/C=C/[C@@H](O)CCCCC)CCC(=O)C=1CC(O)C(O)CCCC(=O)O

Calculated Physicochemical Properties

Heavy Atoms 26

Rings 1

Aromatic Rings

Rotatable Bonds 13

Van der Waals Molecular Volume 384.38

Topological Polar Surface Area 115.06

Hydrogen Bond Donors 4

Hydrogen Bond Acceptors 6

logP 3.37

Molar Refractivity 100.21

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Created at

26th Aug 2025

Updated at