In-Silico Structure Database (LMISSD)
Common Name
PGP(O-22:1(9Z)/31:0)
Systematic Name
1-(9Z-docosenyl)-2-hentriacontanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05029BAX
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1080.809856
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
1-alkyl,2-acylglycerophosphoglycerophosphates [GP0502]
String Representations
InChiKey (Click to copy)
FTKZVPACEWDBIU-OBJXKVOASA-N
InChi (Click to copy)
InChI=1S/C59H118O12P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-29-30-31-32-33-35-37-39-41-43-45-47-49-51-59(61)71-58(56-70-73(65,66)69-54-57(60)53-68-72(62,63)64)55-67-52-50-48-46-44-42-40-38-36-34-24-22-20-18-16-14-12-10-8-6-4-2/h34,36,57-58,60H,3-33,35,37-56H2,1-2H3,(H,65,66)(H2,62,63,64)/b36-34-/t57-,58+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O)COCCCCCCCC/C=C\CCCCCCCCCCCC