In-Silico Structure Database (LMISSD)
Common Name
PGP(11:0/18:2(2E,4E))
Systematic Name
1-undecanoyl-2-(2E,4E-octadecadienoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05019AC9
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
756.397871
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
Diacylglycerophosphoglycerophosphates [GP0501]
String Representations
InChiKey (Click to copy)
YNEUBOZWOSQWKI-BCCQZUPASA-N
InChi (Click to copy)
InChI=1S/C35H66O13P2/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-27-35(38)48-33(30-44-34(37)26-24-22-20-12-10-8-6-4-2)31-47-50(42,43)46-29-32(36)28-45-49(39,40)41/h21,23,25,27,32-33,36H,3-20,22,24,26,28-31H2,1-2H3,(H,42,43)(H2,39,40,41)/b23-21+,27-25+/t32-,33+/m0/s1
SMILES (Click to copy)
[H][C@](O)(COP(O)(O)=O)COP(OC[C@]([H])(OC(/C=C/C=C/CCCCCCCCCCCCC)=O)COC(CCCCCCCCCC)=O)(=O)O