In-Silico Structure Database (LMISSD)
Common Name
PG(O-22:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z))
Systematic Name
1-(11Z-docosenyl)-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
LM ID
LMGP04029A74
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
864.624423
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerols [GP04]
1-alkyl,2-acylglycerophosphoglycerols [GP0402]
String Representations
InChiKey (Click to copy)
XNBFQMZDSLNJHR-OPZBHIAJSA-N
InChi (Click to copy)
InChI=1S/C50H89O9P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-56-46-49(47-58-60(54,55)57-45-48(52)44-51)59-50(53)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20-21,23-24,26,30,32,36,38,48-49,51-52H,3-11,13,15-17,19,22,25,27-29,31,33-35,37,39-47H2,1-2H3,(H,54,55)/b14-12-,20-18-,23-21-,26-24-,32-30-,38-36-/t48-,49+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)COCCCCCCCCCC/C=C\CCCCCCCCCC