Structure Database (LMSD)

Common Name
ent-2,3-dinor-5,6-dihydro-15-F2t-IsoP
Systematic Name
5-[(1R,2S,3S,5R)-3,5-dihydroxy-2-[(E,3R)-3-hydroxyoct-1-enyl]cyclopentyl]pentanoic acid
Synonyms
  • ent-13-F1t-PhytoP
LM ID
LMFA03010259
Formula
C18H32O5
Exact Mass
Calculate m/z
328.224976
Sum Composition
FA 18:2;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)
XHHYJZGDOMKLEE-DDGADJJWSA-N
InChi (Click to copy)
InChI=1S/C18H32O5/c1-2-3-4-7-13(19)10-11-15-14(16(20)12-17(15)21)8-5-6-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/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]1CCCCC(=O)O

Other Databases

PubChem CID
102121464

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 1
Aromatic Rings
Rotatable Bonds 11
Van der Waals Molecular Volume 346.27
Topological Polar Surface Area 97.99
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 3.35
Molar Refractivity 90.54

Admin

Created at
27th May 2025
Updated at
27th May 2025