Structure Database (LMSD)

Common Name
2,3-dinor-15-epi-15-F2t-IsoP
Systematic Name
9S,11R,15R-trihydroxy-2,3-dinor-5Z,13E-prostadienoic acid
Synonyms
  • (Z)-5-((1S,2R,3R,5S)-3,5-dihydroxy-2-((R,E)-3-hydroxyoct-1-en-1-yl)cyclopentyl)pent-3-enoic acid
LM ID
LMFA03010253
Formula
C18H30O5
Exact Mass
Calculate m/z
326.209326
Sum Composition
FA 18:3;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]
Eicosanoids [FA03]
Prostaglandins [FA0301]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
IDKLJIUIJUVJNR-WHLNSVFBSA-N
InChi (Click to copy)
InChI=1S/C18H30O5/c1-2-3-4-7-13(19)10-11-15-14(16(20)12-17(15)21)8-5-6-9-18(22)23/h5-6,10-11,13-17,19-21H,2-4,7-9,12H2,1H3,(H,22,23)/b6-5-,11-10+/t13-,14+,15-,16+,17-/m1/s1
SMILES (Click to copy)
[C@H]1(/C=C/[C@H](O)CCCCC)[C@H](O)C[C@H](O)[C@H]1C/C=C\CC(=O)O

Other Databases

PubChem CID
124489961

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 1
Aromatic Rings
Rotatable Bonds 10
Van der Waals Molecular Volume 343.63
Topological Polar Surface Area 97.99
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 3.12
Molar Refractivity 90.45

Admin

Created at
8th May 2025
Updated at
8th May 2025