Structure Database (LMSD)
Systematic Name
14,15-dihydroxy-8Z,10Z,12E-eicosatrienoic acid
Synonyms
LM ID
LMFA03020091
Formula
Exact Mass
Calculate m/z
338.245711
Sum Composition
Status
Curated
3D model of
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
References
String Representations
InChiKey (Click to copy)
GYPIUQVLGXLZOB-ZNUKWKTHSA-N
InChi (Click to copy)
InChI=1S/C20H34O4/c1-2-3-12-15-18(21)19(22)16-13-10-8-6-4-5-7-9-11-14-17-20(23)24/h4,6,8,10,13,16,18-19,21-22H,2-3,5,7,9,11-12,14-15,17H2,1H3,(H,23,24)/b6-4-,10-8-,16-13+
SMILES (Click to copy)
C(CCCCCC/C=C\C=C/C=C/C(O)C(O)CCCCC)(=O)O
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
Aromatic Rings
Rotatable Bonds
15
Van der Waals Molecular Volume
379.16
Topological Polar Surface Area
77.76
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
4
logP
4.96
Molar Refractivity
99.94
Admin
Created at
26th Aug 2025
Updated at
26th Aug 2025