In-Silico Structure Database (LMISSD)
Common Name
PGP(P-18:1(11Z)/18:2(9E,12E))
Systematic Name
1-(1Z,11Z-octadecadienyl)-2-(9E,12E-octadecadienoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05039AJ9
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
836.496856
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
1-(1Z-alkenyl),2-acylglycerophosphoglycerophosphates [GP0503]
String Representations
InChiKey (Click to copy)
ZILFDWSJXVARIV-ZVMIOKESSA-N
InChi (Click to copy)
InChI=1S/C42H78O12P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-50-38-41(39-53-56(48,49)52-37-40(43)36-51-55(45,46)47)54-42(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12-15,18,20,33,35,40-41,43H,3-11,16-17,19,21-32,34,36-39H2,1-2H3,(H,48,49)(H2,45,46,47)/b14-12+,15-13-,20-18+,35-33-/t40-,41+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC/C=C/C/C=C/CCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O)CO/C=C\CCCCCCCC/C=C\CCCCCC