In-Silico Structure Database (LMISSD)
Common Name
PGP(P-16:1(11Z)/20:4(7E,10E,13E,16E))
Systematic Name
1-(1Z,11Z-hexadecadienyl)-2-(7E,10E,13E,16E-eicosatetraenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05039ADY
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
832.465556
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
1-(1Z-alkenyl),2-acylglycerophosphoglycerophosphates [GP0503]
String Representations
InChiKey (Click to copy)
FKOMGWGWZOQHLQ-UYCZLZICSA-N
InChi (Click to copy)
InChI=1S/C42H74O12P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-42(44)54-41(39-53-56(48,49)52-37-40(43)36-51-55(45,46)47)38-50-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h7,9-10,12-13,15,19-20,22,24,33,35,40-41,43H,3-6,8,11,14,16-18,21,23,25-32,34,36-39H2,1-2H3,(H,48,49)(H2,45,46,47)/b9-7+,12-10-,15-13+,20-19+,24-22+,35-33-/t40-,41+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O)CO/C=C\CCCCCCCC/C=C\CCCC