In-Silico Structure Database (LMISSD)
Common Name
PGP(P-18:1(9Z)/38:0)
Systematic Name
1-(1Z,9Z-octadecadienyl)-2-octatriacontanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05039AN2
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1120.841156
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
1-(1Z-alkenyl),2-acylglycerophosphoglycerophosphates [GP0503]
String Representations
InChiKey (Click to copy)
OXFCEUDPHLUJAH-AHECVHBDSA-N
InChi (Click to copy)
InChI=1S/C62H122O12P2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-42-44-46-48-50-52-54-62(64)74-61(59-73-76(68,69)72-57-60(63)56-71-75(65,66)67)58-70-55-53-51-49-47-45-43-41-20-18-16-14-12-10-8-6-4-2/h18,20,53,55,60-61,63H,3-17,19,21-52,54,56-59H2,1-2H3,(H,68,69)(H2,65,66,67)/b20-18-,55-53-/t60-,61+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O)CO/C=C\CCCCCC/C=C\CCCCCCCC