In-Silico Structure Database (LMISSD)
Common Name
PGP(O-22:1(9Z)/29:0)
Systematic Name
1-(9Z-docosenyl)-2-nonacosanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05029BAV
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1052.778556
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
1-alkyl,2-acylglycerophosphoglycerophosphates [GP0502]
String Representations
InChiKey (Click to copy)
DEJPURBWEAHULW-STYLLSCCSA-N
InChi (Click to copy)
InChI=1S/C57H114O12P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-29-30-31-33-35-37-39-41-43-45-47-49-57(59)69-56(54-68-71(63,64)67-52-55(58)51-66-70(60,61)62)53-65-50-48-46-44-42-40-38-36-34-32-24-22-20-18-16-14-12-10-8-6-4-2/h32,34,55-56,58H,3-31,33,35-54H2,1-2H3,(H,63,64)(H2,60,61,62)/b34-32-/t55-,56+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O)COCCCCCCCC/C=C\CCCCCCCCCCCC