In-Silico Structure Database (LMISSD)
Common Name
PGP(P-18:1(9Z)/37:0)
Systematic Name
1-(1Z,9Z-octadecadienyl)-2-heptatriacontanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05039AN1
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1106.825506
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
1-(1Z-alkenyl),2-acylglycerophosphoglycerophosphates [GP0503]
String Representations
InChiKey (Click to copy)
PIOVSNXPPJCQCO-HLAPPMHBSA-N
InChi (Click to copy)
InChI=1S/C61H120O12P2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-41-43-45-47-49-51-53-61(63)73-60(58-72-75(67,68)71-56-59(62)55-70-74(64,65)66)57-69-54-52-50-48-46-44-42-40-20-18-16-14-12-10-8-6-4-2/h18,20,52,54,59-60,62H,3-17,19,21-51,53,55-58H2,1-2H3,(H,67,68)(H2,64,65,66)/b20-18-,54-52-/t59-,60+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O)CO/C=C\CCCCCC/C=C\CCCCCCCC