In-Silico Structure Database (LMISSD)
Common Name
PGP(P-18:1(9Z)/27:0)
Systematic Name
1-(1Z,9Z-octadecadienyl)-2-heptacosanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05039ANR
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
966.669006
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
1-(1Z-alkenyl),2-acylglycerophosphoglycerophosphates [GP0503]
String Representations
InChiKey (Click to copy)
UOBLMTSVCICBRH-NBXAPIQMSA-N
InChi (Click to copy)
InChI=1S/C51H100O12P2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-51(53)63-50(48-62-65(57,58)61-46-49(52)45-60-64(54,55)56)47-59-44-42-40-38-36-34-32-30-20-18-16-14-12-10-8-6-4-2/h18,20,42,44,49-50,52H,3-17,19,21-41,43,45-48H2,1-2H3,(H,57,58)(H2,54,55,56)/b20-18-,44-42-/t49-,50+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O)CO/C=C\CCCCCC/C=C\CCCCCCCC