Structure Database (LMSD)

Common Name
14-F3t-NeuroP-DPAomega-3
Systematic Name
1a,1b-dihomo-8S,10R,14S-trihydroxy-12E,16Z,19Z-prostatrienoic acid-cyclo[7S,11R]
Synonyms
  • 6-[(1S,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S,5Z,8Z)-3-hydroxyundeca-1,5,8-trienyl]cyclopentyl]hexanoic acid
LM ID
LMFA04010528
Formula
C22H36O5
Exact Mass
Calculate m/z
380.256276
Sum Composition
FA 22:4;O3
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View spectra on LIPID MAPS Standard Spectra DB

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Docosanoids [FA04]
Neuroprostanes [FA0401]
Fatty Acids and Conjugates [FA01]
Carbocyclic fatty acids [FA0114]
Hydroxy fatty acids [FA0105]
Unsaturated fatty acids [FA0103]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Oxylipin standard

String Representations

InChiKey (Click to copy)
YJUVORJTJGOGSR-XCEUZBJYSA-N
InChi (Click to copy)
InChI=1S/C22H36O5/c1-2-3-4-5-6-8-11-17(23)14-15-19-18(20(24)16-21(19)25)12-9-7-10-13-22(26)27/h3-4,6,8,14-15,17-21,23-25H,2,5,7,9-13,16H2,1H3,(H,26,27)/b4-3-,8-6-,15-14+/t17-,18-,19+,20-,21+/m0/s1
SMILES (Click to copy)
O[C@@H]1[C@@H](CCCCCC(=O)O)[C@@H](/C=C/[C@@H](O)C/C=C\C/C=C\CC)[C@H](O)C1

Other Databases

PubChem CID
164667809

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 1
Aromatic Rings
Rotatable Bonds 13
Van der Waals Molecular Volume 410.19
Topological Polar Surface Area 97.99
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 4.46
Molar Refractivity 108.82

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Created at
14th May 2025
Updated at
28th May 2025