Structure Database (LMSD)
Systematic Name
16S17S,18R-trihydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid
Synonyms
LM ID
LMFA03000032
Formula
Exact Mass
Calculate m/z
352.224975
Sum Composition
Status
Active
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)
SDBLVSVMLTWSEM-SRVVOBOYSA-N
InChi (Click to copy)
InChI=1S/C20H32O5/c1-2-17(21)20(25)18(22)15-13-11-9-7-5-3-4-6-8-10-12-14-16-19(23)24/h3-4,7-10,13,15,17-18,20-22,25H,2,5-6,11-12,14,16H2,1H3,(H,23,24)/b4-3-,9-7-,10-8-,15-13-/t17-,18+,20+/m1/s1
SMILES (Click to copy)
C(CCC/C=C\C/C=C\C/C=C\C/C=C\[C@H](O)[C@@H](O)[C@H](O)CC)(=O)O
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
Aromatic Rings
Rotatable Bonds
14
Van der Waals Molecular Volume
385.31
Topological Polar Surface Area
97.99
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
5
logP
3.99
Molar Refractivity
101.75
Admin
Created at
18th Jul 2021
Updated at
29th Jul 2021