In-Silico Structure Database (LMISSD)
Common Name
PGP(P-14:0/20:4(5E,8E,11E,14E))
Systematic Name
1-(1Z-tetradecenyl)-2-(5E,8E,11E,14E-eicosatetraenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05039DEN
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
806.449906
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
1-(1Z-alkenyl),2-acylglycerophosphoglycerophosphates [GP0503]
String Representations
InChiKey (Click to copy)
NRUCZMRZZUIXJA-YTSSLLBWSA-N
InChi (Click to copy)
InChI=1S/C40H72O12P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-40(42)52-39(37-51-54(46,47)50-35-38(41)34-49-53(43,44)45)36-48-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,24,26,31,33,38-39,41H,3-10,12,14-16,19,22-23,25,27-30,32,34-37H2,1-2H3,(H,46,47)(H2,43,44,45)/b13-11+,18-17+,21-20+,26-24+,33-31-/t38-,39+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O)CO/C=C\CCCCCCCCCCCC