In-Silico Structure Database (LMISSD)
Common Name
PG(P-18:1(11Z)/20:4(7E,10E,13E,16E))
Systematic Name
1-(1Z,11Z-octadecadienyl)-2-(7E,10E,13E,16E-eicosatetraenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
LM ID
LMGP04039AKV
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
780.530523
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerols [GP04]
1-(1Z-alkenyl),2-acylglycerophosphoglycerols [GP0403]
String Representations
InChiKey (Click to copy)
BHYNIYGLNSWFDC-UABPPYOFSA-N
InChi (Click to copy)
InChI=1S/C44H77O9P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-44(47)53-43(41-52-54(48,49)51-39-42(46)38-45)40-50-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h7,9,13-16,19,21,24,26,35,37,42-43,45-46H,3-6,8,10-12,17-18,20,22-23,25,27-34,36,38-41H2,1-2H3,(H,48,49)/b9-7+,15-13+,16-14-,21-19+,26-24+,37-35-/t42-,43+/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)CO)CO/C=C\CCCCCCCC/C=C\CCCCCC