In-Silico Structure Database (LMISSD)
Common Name
PGP(17:1(9Z)/22:6(4Z,7Z,10Z,12E,16Z,19Z))
Systematic Name
1-(9Z-heptadecenoyl)-2-(4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05019A3K
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
886.476121
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
Diacylglycerophosphoglycerophosphates [GP0501]
String Representations
InChiKey (Click to copy)
ASZOGMKFZHBWTP-YAGHMFNVSA-N
InChi (Click to copy)
InChI=1S/C45H76O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-45(48)58-43(41-57-60(52,53)56-39-42(46)38-55-59(49,50)51)40-54-44(47)36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h5,7,11,13,16,18-22,25,27,31,33,42-43,46H,3-4,6,8-10,12,14-15,17,23-24,26,28-30,32,34-41H2,1-2H3,(H,52,53)(H2,49,50,51)/b7-5-,13-11-,18-16-,20-19+,22-21-,27-25-,33-31-/t42-,43+/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(CCCCCCC/C=C\CCCCCCC)=O)(=O)O