LIPID MAPS

Structure Database (LMSD)

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Common Name

20-carboxy-tetranor-PGB2

Systematic Name

9-oxo-15S-hydroxy-8(12),13E-2,3,4,5-tetranor-prostadien-1,20-dioic acid

Synonyms

20-carboxy-tetranor-Prostaglandin B2

LM ID

LMFA03010284

Formula

C₁₆H₂₂O₆

Exact Mass

Calculate m/z

310.14164

Sum Composition

FA 16:5;O4

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Rattus norvegicus (#10116)

Mammalia (#40674)

Metabolism of prostaglandin E2 in the rat.,
Biochemistry, 1971

Pubmed ID: 5550814

String Representations

InChiKey (Click to copy)

AUAYKNBGLDOABN-PZBABLGHSA-N

InChi (Click to copy)

InChI=1S/C16H22O6/c17-12(3-1-2-4-15(19)20)7-5-11-6-9-14(18)13(11)8-10-16(21)22/h5,7,12,17H,1-4,6,8-10H2,(H,19,20)(H,21,22)/b7-5+/t12-/m0/s1

SMILES (Click to copy)

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

Calculated Physicochemical Properties

Heavy Atoms 22

Rings 1

Aromatic Rings

Rotatable Bonds 10

Van der Waals Molecular Volume 312.54

Topological Polar Surface Area 111.90

Hydrogen Bond Donors 3

Hydrogen Bond Acceptors 6

logP 2.36

Molar Refractivity 79.90

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Created at

6th Aug 2025

Updated at