In-Silico Structure Database (LMISSD)
Common Name
PG(P-22:1(11Z)/39:0)
Systematic Name
1-(1Z,11Z-docosenyl)-2-nonatriacontanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)
LM ID
LMGP04039AZM
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1110.953073
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerols [GP04]
1-(1Z-alkenyl),2-acylglycerophosphoglycerols [GP0403]
String Representations
InChiKey (Click to copy)
LZOHDEKDTAIFTA-LNNJHEKISA-N
InChi (Click to copy)
InChI=1S/C67H131O9P/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-43-45-47-49-51-53-55-57-59-67(70)76-66(64-75-77(71,72)74-62-65(69)61-68)63-73-60-58-56-54-52-50-48-46-44-42-24-22-20-18-16-14-12-10-8-6-4-2/h22,24,58,60,65-66,68-69H,3-21,23,25-57,59,61-64H2,1-2H3,(H,71,72)/b24-22-,60-58-/t65-,66+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)CO/C=C\CCCCCCCC/C=C\CCCCCCCCCC