In-Silico Structure Database (LMISSD)
Common Name
PGP(14:1(9Z)/20:4(5Z,8Z,11Z,14Z))
Systematic Name
1-(9Z-tetradecenoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05019AM4
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
820.429171
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
Diacylglycerophosphoglycerophosphates [GP0501]
String Representations
InChiKey (Click to copy)
GDMPUICAICZUQD-RJXATSBXSA-N
InChi (Click to copy)
InChI=1S/C40H70O13P2/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-40(43)53-38(36-52-55(47,48)51-34-37(41)33-50-54(44,45)46)35-49-39(42)31-29-27-25-23-21-14-12-10-8-6-4-2/h10-13,16-17,19-20,24,26,37-38,41H,3-9,14-15,18,21-23,25,27-36H2,1-2H3,(H,47,48)(H2,44,45,46)/b12-10-,13-11-,17-16-,20-19-,26-24-/t37-,38+/m0/s1
SMILES (Click to copy)
[H][C@](O)(COP(O)(O)=O)COP(OC[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)COC(CCCCCCC/C=C\CCCC)=O)(=O)O