LIPID MAPS

Structure Database (LMSD)

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Common Name

5-iso-LGD2

Systematic Name

(8S,12R)-9,10-seco-9,11-dioxo-5S-hydroxy-6E,14Z-prostadienoic acid

Synonyms

(5S,6E,8S,9R,11Z)-9-acetyl-8-formyl-5-hydroxyheptadeca-6,11-dienoic acid

LM ID

LMFA03100036

Formula

C₂₀H₃₂O₅

Exact Mass

Calculate m/z

352.224975

Sum Composition

FA 20:4;O3

Status

Active (generated by computational methods)

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

HFMAGYDCADKGBI-GQGWQZIRSA-N

InChi (Click to copy)

InChI=1S/C20H32O5/c1-3-4-5-6-7-8-11-19(16(2)22)17(15-21)13-14-18(23)10-9-12-20(24)25/h7-8,13-15,17-19,23H,3-6,9-12H2,1-2H3,(H,24,25)/b8-7-,14-13+/t17-,18+,19+/m1/s1

SMILES (Click to copy)

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

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Homo sapiens (#9606)

Mammalia (#40674)

Isolevuglandin-protein adducts in oxidized low density lipoprotein and human plasma: a strong connection with cardiovascular disease.,
Trends Cardiovasc Med, 2000

Pubmed ID: 11150730