In-Silico Structure Database (LMISSD)
Common Name
PGP(P-18:1(9Z)/22:4(7Z,10Z,13Z,16Z))
Systematic Name
1-(1Z,9Z-octadecadienyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05039ANC
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
888.528156
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
1-(1Z-alkenyl),2-acylglycerophosphoglycerophosphates [GP0503]
String Representations
InChiKey (Click to copy)
ACJWMOBZLDJRFM-QDKHDLSWSA-N
InChi (Click to copy)
InChI=1S/C46H82O12P2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-46(48)58-45(43-57-60(52,53)56-41-44(47)40-55-59(49,50)51)42-54-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,22-23,26,28,37,39,44-45,47H,3-10,12,14-16,21,24-25,27,29-36,38,40-43H2,1-2H3,(H,52,53)(H2,49,50,51)/b13-11-,19-17-,20-18-,23-22-,28-26-,39-37-/t44-,45+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O)CO/C=C\CCCCCC/C=C\CCCCCCCC