In-Silico Structure Database (LMISSD)
Common Name
PGP(P-14:0/18:3(6Z,9Z,12Z))
Systematic Name
1-(1Z-tetradecenyl)-2-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05039DD9
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
780.434256
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
1-(1Z-alkenyl),2-acylglycerophosphoglycerophosphates [GP0503]
String Representations
InChiKey (Click to copy)
FWGYRYUZUDQXBA-QFQZJDEISA-N
InChi (Click to copy)
InChI=1S/C38H70O12P2/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/h11,13,17-18,20,22,29,31,36-37,39H,3-10,12,14-16,19,21,23-28,30,32-35H2,1-2H3,(H,44,45)(H2,41,42,43)/b13-11-,18-17-,22-20-,31-29-/t36-,37+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O)CO/C=C\CCCCCCCCCCCC