In-Silico Structure Database (LMISSD)
Common Name
PS(17:1(9Z)/20:0)
Systematic Name
1-(9Z-heptadecenoyl)-2-eicosanoyl-sn-glycero-3-phosphoserine
LM ID
LMGP03010266
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
803.567637
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
Diacylglycerophosphoserines [GP0301]
String Representations
InChiKey (Click to copy)
UEYBQAVURJIJOF-AEGGJFQCSA-N
InChi (Click to copy)
InChI=1S/C43H82NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-42(46)54-39(37-52-55(49,50)53-38-40(44)43(47)48)36-51-41(45)34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h16,18,39-40H,3-15,17,19-38,44H2,1-2H3,(H,47,48)(H,49,50)/b18-16-/t39-,40+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCC/C=C\CCCCCCC)=O)(=O)O
References
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
55
Rings
0
Aromatic Rings
0
Rotatable Bonds
44
Van der Waals Molecular Volume
860.63
Topological Polar Surface Area
171.68
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
10
logP
13.27
Molar Refractivity
224.15