In-Silico Structure Database (LMISSD)
Common Name
PGP(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))
Systematic Name
1-2-di-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05019DWY
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
950.507421
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
Diacylglycerophosphoglycerophosphates [GP0501]
String Representations
InChiKey (Click to copy)
MDKOULQPFUGESH-GWXFZNBXSA-N
InChi (Click to copy)
InChI=1S/C50H80O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-49(52)59-45-48(46-62-65(57,58)61-44-47(51)43-60-64(54,55)56)63-50(53)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,29-32,35-38,47-48,51H,3-10,15-16,21-22,27-28,33-34,39-46H2,1-2H3,(H,57,58)(H2,54,55,56)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,37-35-,38-36-/t47-,48+/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(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)(=O)O