In-Silico Structure Database (LMISSD)
Common Name
PG(17:2(9Z,12Z)/18:2(9Z,12Z))
Systematic Name
1-(9Z,12Z-heptadecadienoyl)-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
LM ID
LMGP04010290
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
756.494138
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerols [GP04]
Diacylglycerophosphoglycerols [GP0401]
String Representations
InChiKey (Click to copy)
CYYNZDOXUBTSQH-XUARNJQFSA-N
InChi (Click to copy)
InChI=1S/C41H73O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)51-39(37-50-52(46,47)49-35-38(43)34-42)36-48-40(44)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h10-13,16-19,38-39,42-43H,3-9,14-15,20-37H2,1-2H3,(H,46,47)/b12-10-,13-11-,18-16-,19-17-/t38-,39+/m0/s1
SMILES (Click to copy)
[H][C@](O)(CO)COP(OC[C@]([H])(OC(CCCCCCC/C=C\C/C=C\CCCCC)=O)COC(CCCCCCC/C=C\C/C=C\CCCC)=O)(=O)O
References
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
52
Rings
0
Aromatic Rings
0
Rotatable Bonds
39
Van der Waals Molecular Volume
809.75
Topological Polar Surface Area
148.82
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
10
logP
12.05
Molar Refractivity
212.61