In-Silico Structure Database (LMISSD)
Common Name
PG(O-18:0/31:0)
Systematic Name
1-octadecyl-2-hentriacontanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)
LM ID
LMGP04029ANV
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
946.796573
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerols [GP04]
1-alkyl,2-acylglycerophosphoglycerols [GP0402]
String Representations
InChiKey (Click to copy)
CNGCZSJIEHHROG-ZOAUSRBZSA-N
InChi (Click to copy)
InChI=1S/C55H111O9P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-35-37-39-41-43-45-47-55(58)64-54(52-63-65(59,60)62-50-53(57)49-56)51-61-48-46-44-42-40-38-36-34-20-18-16-14-12-10-8-6-4-2/h53-54,56-57H,3-52H2,1-2H3,(H,59,60)/t53-,54+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)CO)COCCCCCCCCCCCCCCCCCC