In-Silico Structure Database (LMISSD)
Common Name
PGP(P-18:1(9Z)/28:0)
Systematic Name
1-(1Z,9Z-octadecadienyl)-2-octacosanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05039ANS
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
980.684656
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
1-(1Z-alkenyl),2-acylglycerophosphoglycerophosphates [GP0503]
String Representations
InChiKey (Click to copy)
KBUIUCIGHXDVPI-SHJIXQGMSA-N
InChi (Click to copy)
InChI=1S/C52H102O12P2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-52(54)64-51(49-63-66(58,59)62-47-50(53)46-61-65(55,56)57)48-60-45-43-41-39-37-35-33-31-20-18-16-14-12-10-8-6-4-2/h18,20,43,45,50-51,53H,3-17,19,21-42,44,46-49H2,1-2H3,(H,58,59)(H2,55,56,57)/b20-18-,45-43-/t50-,51+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O)CO/C=C\CCCCCC/C=C\CCCCCCCC