In-Silico Structure Database (LMISSD)
Common Name
PS(15:1(9Z)/17:2(9Z,12Z))
Systematic Name
1-(9Z-pentadecenoyl)-2-(9Z,12Z-heptadecadienoyl)-sn-glycero-3-phosphoserine
LM ID
LMGP03010171
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
729.458087
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
Diacylglycerophosphoserines [GP0301]
String Representations
InChiKey (Click to copy)
XYZKAVHBHMRTDP-IZNSQVAGSA-N
InChi (Click to copy)
InChI=1S/C38H68NO10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-37(41)49-34(32-47-50(44,45)48-33-35(39)38(42)43)31-46-36(40)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h9,11-12,14-15,17,34-35H,3-8,10,13,16,18-33,39H2,1-2H3,(H,42,43)(H,44,45)/b11-9-,14-12-,17-15-/t34-,35+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCC/C=C\C/C=C\CCCC)=O)COC(CCCCCCC/C=C\CCCCC)=O)(=O)O
References
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
50
Rings
0
Aromatic Rings
0
Rotatable Bonds
37
Van der Waals Molecular Volume
768.85
Topological Polar Surface Area
171.68
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
10
logP
10.88
Molar Refractivity
200.88