In-Silico Structure Database (LMISSD)
Common Name
PS(20:4(5Z,8Z,11Z,14Z)/15:1(9Z))
Systematic Name
1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(9Z-pentadecenoyl)-sn-glycero-3-phosphoserine
LM ID
LMGP03010625
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
767.473737
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
Diacylglycerophosphoserines [GP0301]
String Representations
InChiKey (Click to copy)
YUEQBDZISULIPZ-DDKAKPMWSA-N
InChi (Click to copy)
InChI=1S/C41H70NO10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-24-26-28-30-32-39(43)49-34-37(35-50-53(47,48)51-36-38(42)41(45)46)52-40(44)33-31-29-27-25-22-16-14-12-10-8-6-4-2/h11-14,17-18,20-21,24,26,37-38H,3-10,15-16,19,22-23,25,27-36,42H2,1-2H3,(H,45,46)(H,47,48)/b13-11-,14-12-,18-17-,21-20-,26-24-/t37-,38+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCC/C=C\CCCCC)=O)COC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)(=O)O
References
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
53
Rings
0
Aromatic Rings
0
Rotatable Bonds
38
Van der Waals Molecular Volume
815.47
Topological Polar Surface Area
171.68
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
10
logP
11.60
Molar Refractivity
214.54