In-Silico Structure Database (LMISSD)
Common Name
PGP(O-16:0/24:4(5Z,8Z,11Z,14Z))
Systematic Name
1-hexadecyl-2-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05029AGN
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
892.559456
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
1-alkyl,2-acylglycerophosphoglycerophosphates [GP0502]
String Representations
InChiKey (Click to copy)
KMXWOPQTQMQRSG-AURVSZQRSA-N
InChi (Click to copy)
InChI=1S/C46H86O12P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-46(48)58-45(43-57-60(52,53)56-41-44(47)40-55-59(49,50)51)42-54-39-37-35-33-31-29-27-18-16-14-12-10-8-6-4-2/h19-20,22-23,25-26,30,32,44-45,47H,3-18,21,24,27-29,31,33-43H2,1-2H3,(H,52,53)(H2,49,50,51)/b20-19-,23-22-,26-25-,32-30-/t44-,45+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O)COCCCCCCCCCCCCCCCC