LIPID MAPS

Structure Database (LMSD)

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Common Name

16,16-dimethyl-PGE2

Systematic Name

9-oxo-11R,15R-dihydroxy-16,16-dimethyl-5Z,13E-prostadienoic acid

Synonyms

16,16-dimethyl-Prostaglandin E2

LM ID

LMFA03010065

Formula

C₂₂H₃₆O₅

Exact Mass

Calculate m/z

380.256275

Sum Composition

FA 22:4;O3

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

QAOBBBBDJSWHMU-WMBBNPMCSA-N

InChi (Click to copy)

InChI=1S/C22H36O5/c1-4-5-14-22(2,3)20(25)13-12-17-16(18(23)15-19(17)24)10-8-6-7-9-11-21(26)27/h6,8,12-13,16-17,19-20,24-25H,4-5,7,9-11,14-15H2,1-3H3,(H,26,27)/b8-6-,13-12+/t16-,17-,19-,20-/m1/s1

SMILES (Click to copy)

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

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

synthetic construct (#32630)

Gastric antisecretory and antiulcer properties of PGE2, 15-methyl PGE2, and 16, 16-dimethyl PGE2. Intravenous, oral and intrajejunal administration.,
Gastroenterology, 1976

Pubmed ID: 174967