LIPID MAPS

Structure Database (LMSD)

Download as... MDLMOL SDF CSV TSV PNG SVG

Common Name

13-epi-13-F1t-PhytoP

Systematic Name

9S,11R,15R-trihydroxy-2,3-dinor-13E-prostaenoic acid-cyclo[8S,12R]

Synonyms

LM ID

LMFA03010254

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

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

synthetic construct (#32630)

Oxylipin standard

String Representations

InChiKey (Click to copy)

XHHYJZGDOMKLEE-ZRMZGJFNSA-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

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

8th May 2025

Updated at