In-Silico Structure Database (LMISSD)
Common Name
PGP(26:2(5Z,9Z)/22:6(4Z,7Z,10Z,12E,16Z,19Z))
Systematic Name
1-(5Z,9Z-hexacosadienoyl)-2-(4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05019EQZ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1010.601321
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
Diacylglycerophosphoglycerophosphates [GP0501]
String Representations
InChiKey (Click to copy)
YMWCGABJDSYDMH-RUKASPHISA-N
InChi (Click to copy)
InChI=1S/C54H92O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-28-29-31-33-35-37-39-41-43-45-53(56)63-49-52(50-66-69(61,62)65-48-51(55)47-64-68(58,59)60)67-54(57)46-44-42-40-38-36-34-32-30-27-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,20,22,27,29-31,34,36-37,39-40,42,51-52,55H,3-5,7,9-11,13,15-19,21,23-26,28,32-33,35,38,41,43-50H2,1-2H3,(H,61,62)(H2,58,59,60)/b8-6-,14-12-,22-20+,30-27-,31-29-,36-34-,39-37-,42-40-/t51-,52+/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(CCC/C=C\CC/C=C\CCCCCCCCCCCCCCCC)=O)(=O)O