In-Silico Structure Database (LMISSD)
Common Name
PGP(10:0/22:6(4Z,7Z,10Z,12E,16Z,19Z))
Systematic Name
1-decanoyl-2-(4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05019ABW
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
790.382221
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
Diacylglycerophosphoglycerophosphates [GP0501]
String Representations
InChiKey (Click to copy)
NXPIOGLIRWUXNU-NZITUADKSA-N
InChi (Click to copy)
InChI=1S/C38H64O13P2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-24-26-28-30-38(41)51-36(33-47-37(40)29-27-25-23-10-8-6-4-2)34-50-53(45,46)49-32-35(39)31-48-52(42,43)44/h5,7,11-12,15-18,20-21,24,26,35-36,39H,3-4,6,8-10,13-14,19,22-23,25,27-34H2,1-2H3,(H,45,46)(H2,42,43,44)/b7-5-,12-11-,16-15+,18-17-,21-20-,26-24-/t35-,36+/m0/s1
SMILES (Click to copy)
[H][C@](O)(COP(O)(O)=O)COP(OC[C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C=C\CC/C=C\C/C=C\CC)=O)COC(CCCCCCCCC)=O)(=O)O