In-Silico Structure Database (LMISSD)
Common Name
PS(20:2(11Z,14Z)/18:0)
Systematic Name
1-(11Z,14Z-eicosadienoyl)-2-octadecanoyl-sn-glycero-3-phosphoserine
LM ID
LMGP03010569
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
815.567637
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
Diacylglycerophosphoserines [GP0301]
String Representations
InChiKey (Click to copy)
KELGSHJXOKETBM-XNZLALOISA-N
InChi (Click to copy)
InChI=1S/C44H82NO10P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-42(46)52-37-40(38-53-56(50,51)54-39-41(45)44(48)49)55-43(47)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,40-41H,3-10,12,14-16,18,20-39,45H2,1-2H3,(H,48,49)(H,50,51)/b13-11-,19-17-/t40-,41+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCC/C=C\C/C=C\CCCCC)=O)(=O)O
References
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
56
Rings
0
Aromatic Rings
0
Rotatable Bonds
44
Van der Waals Molecular Volume
875.29
Topological Polar Surface Area
171.68
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
10
logP
13.44
Molar Refractivity
228.67