In-Silico Structure Database (LMISSD)
Common Name
PGP(39:0/37:0)
Systematic Name
1-nonatriacontanoyl-2-heptatriacontanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05019FLK
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1419.164721
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
Diacylglycerophosphoglycerophosphates [GP0501]
String Representations
InChiKey (Click to copy)
SJLYFAGTNMWNQO-JIXLDJFWSA-N
InChi (Click to copy)
InChI=1S/C82H164O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-40-42-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-73-81(84)91-77-80(78-94-97(89,90)93-76-79(83)75-92-96(86,87)88)95-82(85)74-72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-41-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h79-80,83H,3-78H2,1-2H3,(H,89,90)(H2,86,87,88)/t79-,80+/m0/s1
SMILES (Click to copy)
[H][C@](O)(COP(O)(O)=O)COP(OC[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(=O)O