Structure Database (LMSD)
Common Name
15S-HTPE
Systematic Name
15S-hydroxy-tetracosa-6Z,9Z,12Z,16E,18Z-pentaenoic acid
Synonyms
3D model of 15S-HTPE
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
WCPFNHAOKQUJEV-CCRANPHBSA-N
InChi (Click to copy)
InChI=1S/C24H38O3/c1-2-3-4-5-11-14-17-20-23(25)21-18-15-12-9-7-6-8-10-13-16-19-22-24(26)27/h7-11,14-15,17-18,20,23,25H,2-6,12-13,16,19,21-22H2,1H3,(H,26,27)/b9-7-,10-8-,14-11-,18-15-,20-17+/t23-/m1/s1
SMILES (Click to copy)
C(CCCC/C=C\C/C=C\C/C=C\C[C@H](O)/C=C/C=C\CCCCC)(=O)O
References
Calculated Physicochemical Properties
Heavy Atoms
27
Rings
0
Aromatic Rings
0
Rotatable Bonds
17
Van der Waals Molecular Volume
434.29
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
6.81
Molar Refractivity
116.32
Admin
Created at
12th Nov 2020
Updated at
13th Nov 2020