LIPID MAPS

Structure Database (LMSD)

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Common Name

20-carboxy-PGB1

Systematic Name

9-oxo-15S-hydroxy-8(12),13E-prostadien-1,20-dioic acid

Synonyms

20-carboxy-Prostaglandin B1

LM ID

LMFA03010291

Formula

C₂₀H₃₀O₆

Exact Mass

Calculate m/z

366.204241

Sum Composition

FA 20:5;O4

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Oryctolagus cuniculus (#9986)

Mammalia (#40674)

Studies on the oxidation of omega-hydroxyprostaglandins by an NAD-dependent dehydrogenase from mammalian liver cytosol.,
Arch Biochem Biophys, 1980

Pubmed ID: 7356329

String Representations

InChiKey (Click to copy)

UCDFJTBYLHKGRA-BYIUCRAPSA-N

InChi (Click to copy)

InChI=1S/C20H30O6/c21-16(7-5-6-10-20(25)26)13-11-15-12-14-18(22)17(15)8-3-1-2-4-9-19(23)24/h11,13,16,21H,1-10,12,14H2,(H,23,24)(H,25,26)/b13-11+/t16-/m0/s1

SMILES (Click to copy)

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

Calculated Physicochemical Properties

Heavy Atoms 26

Rings 1

Aromatic Rings

Rotatable Bonds 14

Van der Waals Molecular Volume 381.74

Topological Polar Surface Area 111.90

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 6

logP 3.92

Molar Refractivity 98.37

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Created at

13th Aug 2025

Updated at