In-Silico Structure Database (LMISSD)
Common Name
PGP(P-14:0/18:2(9E,12E))
Systematic Name
1-(1Z-tetradecenyl)-2-(9E,12E-octadecadienoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05039DD6
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
782.449906
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
1-(1Z-alkenyl),2-acylglycerophosphoglycerophosphates [GP0503]
String Representations
InChiKey (Click to copy)
BGXZDEMZDRSAMA-ANPHGNISSA-N
InChi (Click to copy)
InChI=1S/C38H72O12P2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-38(40)50-37(35-49-52(44,45)48-33-36(39)32-47-51(41,42)43)34-46-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13,17-18,29,31,36-37,39H,3-10,12,14-16,19-28,30,32-35H2,1-2H3,(H,44,45)(H2,41,42,43)/b13-11+,18-17+,31-29-/t36-,37+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC/C=C/C/C=C/CCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O)CO/C=C\CCCCCCCCCCCC