In-Silico Structure Database (LMISSD)
Common Name
PS(P-20:0/16:0)
Systematic Name
1-(1Z-eicosenyl)-2-hexadecanoyl-sn-glycero-3-phosphoserine
LM ID
LMGP03030062
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
775.572722
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
1-(1Z-alkenyl),2-acylglycerophosphoserines [GP0303]
String Representations
InChiKey (Click to copy)
DHWZFLPXTMDUKK-AFPNGVDTSA-N
InChi (Click to copy)
InChI=1S/C42H82NO9P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-35-49-36-39(37-50-53(47,48)51-38-40(43)42(45)46)52-41(44)34-32-30-28-26-24-22-16-14-12-10-8-6-4-2/h33,35,39-40H,3-32,34,36-38,43H2,1-2H3,(H,45,46)(H,47,48)/b35-33-/t39-,40+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCCCCCCCCC)=O)CO/C=C\CCCCCCCCCCCCCCCCCC)(=O)O
References
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
53
Rings
0
Aromatic Rings
0
Rotatable Bonds
43
Van der Waals Molecular Volume
837.18
Topological Polar Surface Area
154.61
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
9
logP
13.70
Molar Refractivity
219.14