LIPID MAPS

Structure Database (LMSD)

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Common Name

15-keto-13,14-dihydro-PGA1

Systematic Name

9,15-dioxo-10-prostaenoic acid

Synonyms

15-keto-13,14-dihydro-Prostaglandin A1

LM ID

LMFA03010271

Formula

C₂₀H₃₂O₄

Exact Mass

Calculate m/z

336.230061

Sum Composition

FA 20:4;O2

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Homo sapiens (#9606)

Mammalia (#40674)

Chemical instability of 15-keto-13,14-dihydro-PGE2: the reason for low assay reliability.,
Prostaglandins, 1980

Pubmed ID: 7384561

String Representations

InChiKey (Click to copy)

GWULZQZSIXKEEX-FUHWJXTLSA-N

InChi (Click to copy)

InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h13,15-16,18H,2-12,14H2,1H3,(H,23,24)/t16-,18+/m0/s1

SMILES (Click to copy)

C1C(=O)[C@H](CCCCCCC(O)=O)[C@@H](CCC(=O)CCCCC)C=1

Calculated Physicochemical Properties

Heavy Atoms 24

Rings 1

Aromatic Rings

Rotatable Bonds 14

Van der Waals Molecular Volume 366.80

Topological Polar Surface Area 71.44

Hydrogen Bond Donors 1

Hydrogen Bond Acceptors 4

logP 4.71

Molar Refractivity 94.85

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Created at

30th Jul 2025

Updated at