In-Silico Structure Database (LMISSD)
Common Name
PG(16:0/16:0)
Systematic Name
1-2-di-hexadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)
LM ID
LMGP04010986
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
722.509788
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerols [GP04]
Diacylglycerophosphoglycerols [GP0401]
String Representations
InChiKey (Click to copy)
BIABMEZBCHDPBV-MPQUPPDSSA-N
InChi (Click to copy)
InChI=1S/C38H75O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(41)45-33-36(34-47-49(43,44)46-32-35(40)31-39)48-38(42)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-36,39-40H,3-34H2,1-2H3,(H,43,44)/t35-,36+/m0/s1
SMILES (Click to copy)
[H][C@](O)(CO)COP(OC[C@]([H])(OC(CCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCC)=O)(=O)O
References
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
49
Rings
0
Aromatic Rings
0
Rotatable Bonds
40
Van der Waals Molecular Volume
768.41
Topological Polar Surface Area
148.82
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
10
logP
11.77
Molar Refractivity
199.13