In-Silico Structure Database (LMISSD)
Common Name
PS(15:1(9Z)/18:4(6Z,9Z,12Z,15Z))
Systematic Name
1-(9Z-pentadecenoyl)-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-sn-glycero-3-phosphoserine
LM ID
LMGP03010177
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
739.442437
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
Diacylglycerophosphoserines [GP0301]
String Representations
InChiKey (Click to copy)
YCSHGIKWYRQBDL-GLTMFFGNSA-N
InChi (Click to copy)
InChI=1S/C39H66NO10P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-38(42)50-35(33-48-51(45,46)49-34-36(40)39(43)44)32-47-37(41)30-28-26-24-22-20-16-14-12-10-8-6-4-2/h5,7,11-14,17-18,21,23,35-36H,3-4,6,8-10,15-16,19-20,22,24-34,40H2,1-2H3,(H,43,44)(H,45,46)/b7-5-,13-11-,14-12-,18-17-,23-21-/t35-,36+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCC/C=C\CCCCC)=O)(=O)O
References
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
51
Rings
0
Aromatic Rings
0
Rotatable Bonds
36
Van der Waals Molecular Volume
780.87
Topological Polar Surface Area
171.68
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
10
logP
10.82
Molar Refractivity
205.31