In-Silico Structure Database (LMISSD)
Common Name
PGP(P-18:1(9Z)/24:4(5Z,8Z,11Z,14Z))
Systematic Name
1-(1Z,9Z-octadecadienyl)-2-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05039ANK
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
916.559456
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
1-(1Z-alkenyl),2-acylglycerophosphoglycerophosphates [GP0503]
String Representations
InChiKey (Click to copy)
DRQBPVBXVMVCNW-UQEVVJTESA-N
InChi (Click to copy)
InChI=1S/C48H86O12P2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-48(50)60-47(45-59-62(54,55)58-43-46(49)42-57-61(51,52)53)44-56-41-39-37-35-33-31-29-27-20-18-16-14-12-10-8-6-4-2/h18-21,23-24,26,28,32,34,39,41,46-47,49H,3-17,22,25,27,29-31,33,35-38,40,42-45H2,1-2H3,(H,54,55)(H2,51,52,53)/b20-18-,21-19-,24-23-,28-26-,34-32-,41-39-/t46-,47+/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)CO/C=C\CCCCCC/C=C\CCCCCCCC