In-Silico Structure Database (LMISSD)
Common Name
PS(P-18:0/17:1(9Z))
Systematic Name
1-(1Z-octadecenyl)-2-(9Z-heptadecenoyl)-sn-glycero-3-phosphoserine
LM ID
LMGP03030037
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
759.541422
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
1-(1Z-alkenyl),2-acylglycerophosphoserines [GP0303]
String Representations
InChiKey (Click to copy)
HENYYOOISBZJSF-ZXDUGIJDSA-N
InChi (Click to copy)
InChI=1S/C41H78NO9P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-48-35-38(36-49-52(46,47)50-37-39(42)41(44)45)51-40(43)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h16,18,32,34,38-39H,3-15,17,19-31,33,35-37,42H2,1-2H3,(H,44,45)(H,46,47)/b18-16-,34-32-/t38-,39+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCC/C=C\CCCCCCC)=O)CO/C=C\CCCCCCCCCCCCCCCC)(=O)O
References
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
52
Rings
0
Aromatic Rings
0
Rotatable Bonds
41
Van der Waals Molecular Volume
817.24
Topological Polar Surface Area
154.61
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
9
logP
13.09
Molar Refractivity
214.43