In-Silico Structure Database (LMISSD)
Common Name
PGP(O-22:1(9Z)/36:0)
Systematic Name
1-(9Z-docosenyl)-2-hexatriacontanoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05029BA2
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1150.888106
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
1-alkyl,2-acylglycerophosphoglycerophosphates [GP0502]
String Representations
InChiKey (Click to copy)
QWWVFODAZSEYRO-DWYXJNRZSA-N
InChi (Click to copy)
InChI=1S/C64H128O12P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-44-46-48-50-52-54-56-64(66)76-63(61-75-78(70,71)74-59-62(65)58-73-77(67,68)69)60-72-57-55-53-51-49-47-45-43-41-39-24-22-20-18-16-14-12-10-8-6-4-2/h39,41,62-63,65H,3-38,40,42-61H2,1-2H3,(H,70,71)(H2,67,68,69)/b41-39-/t62-,63+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O)COCCCCCCCC/C=C\CCCCCCCCCCCC