In-Silico Structure Database (LMISSD)
Common Name
PGP(39:0/20:3(5Z,8Z,11Z))
Systematic Name
1-nonatriacontanoyl-2-(5Z,8Z,11Z-eicosatrienoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05019FKI
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1174.851721
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
Diacylglycerophosphoglycerophosphates [GP0501]
String Representations
InChiKey (Click to copy)
KUANEYPXOZGJOU-YKHQBESUSA-N
InChi (Click to copy)
InChI=1S/C65H124O13P2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-41-42-44-46-48-50-52-54-56-64(67)74-60-63(61-77-80(72,73)76-59-62(66)58-75-79(69,70)71)78-65(68)57-55-53-51-49-47-45-43-40-20-18-16-14-12-10-8-6-4-2/h18,20,43,45,49,51,62-63,66H,3-17,19,21-42,44,46-48,50,52-61H2,1-2H3,(H,72,73)(H2,69,70,71)/b20-18-,45-43-,51-49-/t62-,63+/m0/s1
SMILES (Click to copy)
[H][C@](O)(COP(O)(O)=O)COP(OC[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\CCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(=O)O