In-Silico Structure Database (LMISSD)
Common Name
PS(15:0/22:2(13Z,16Z))
Systematic Name
1-pentadecanoyl-2-(13Z,16Z-docosadienoyl)-sn-glycero-3-phosphoserine
LM ID
LMGP03010158
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
801.551987
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
Diacylglycerophosphoserines [GP0301]
String Representations
InChiKey (Click to copy)
FWKQHNROWKCQAI-RAZLNGTHSA-N
InChi (Click to copy)
InChI=1S/C43H80NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-42(46)54-39(37-52-55(49,50)53-38-40(44)43(47)48)36-51-41(45)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h11,13,17-18,39-40H,3-10,12,14-16,19-38,44H2,1-2H3,(H,47,48)(H,49,50)/b13-11-,18-17-/t39-,40+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCCCCC/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCCCCCC)=O)(=O)O
References
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
55
Rings
0
Aromatic Rings
0
Rotatable Bonds
43
Van der Waals Molecular Volume
857.99
Topological Polar Surface Area
171.68
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
10
logP
13.05
Molar Refractivity
224.06