In-Silico Structure Database (LMISSD)
Common Name
PGP(20:1(11Z)/31:0)
Systematic Name
1-(11Z-eicosenoyl)-2-hentriacontanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05019CPN
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1066.757821
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
Diacylglycerophosphoglycerophosphates [GP0501]
String Representations
InChiKey (Click to copy)
HQRUQOVJEKGFHI-ONHPSAPMSA-N
InChi (Click to copy)
InChI=1S/C57H112O13P2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-43-45-47-49-57(60)70-55(53-69-72(64,65)68-51-54(58)50-67-71(61,62)63)52-66-56(59)48-46-44-42-40-38-36-34-32-20-18-16-14-12-10-8-6-4-2/h18,20,54-55,58H,3-17,19,21-53H2,1-2H3,(H,64,65)(H2,61,62,63)/b20-18-/t54-,55+/m0/s1
SMILES (Click to copy)
[H][C@](O)(COP(O)(O)=O)COP(OC[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCC/C=C\CCCCCCCC)=O)(=O)O