In-Silico Structure Database (LMISSD)
Common Name
PGP(25:0/22:5(4Z,7Z,10Z,13Z,16Z))
Systematic Name
1-pentacosanoyl-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05019EFE
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1002.632621
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
Diacylglycerophosphoglycerophosphates [GP0501]
String Representations
InChiKey (Click to copy)
KIKXRFBIXLBALJ-JTZRMVPYSA-N
InChi (Click to copy)
InChI=1S/C53H96O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-27-28-30-32-34-36-38-40-42-44-52(55)62-48-51(49-65-68(60,61)64-47-50(54)46-63-67(57,58)59)66-53(56)45-43-41-39-37-35-33-31-29-26-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,26,29,33,35,39,41,50-51,54H,3-11,13,15-17,19,21-25,27-28,30-32,34,36-38,40,42-49H2,1-2H3,(H,60,61)(H2,57,58,59)/b14-12-,20-18-,29-26-,35-33-,41-39-/t50-,51+/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=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCC)=O)(=O)O