In-Silico Structure Database (LMISSD)
Common Name
PGP(P-22:1(9Z)/17:1(9Z))
Systematic Name
1-(1Z,9Z-docosenyl)-2-(9Z-heptadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05039AZZ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
880.559456
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
1-(1Z-alkenyl),2-acylglycerophosphoglycerophosphates [GP0503]
String Representations
InChiKey (Click to copy)
GSWKRRXLHUUQOZ-IIJOOFORSA-N
InChi (Click to copy)
InChI=1S/C45H86O12P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-53-41-44(42-56-59(51,52)55-40-43(46)39-54-58(48,49)50)57-45(47)37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h16,18,22-23,36,38,43-44,46H,3-15,17,19-21,24-35,37,39-42H2,1-2H3,(H,51,52)(H2,48,49,50)/b18-16-,23-22-,38-36-/t43-,44+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC/C=C\CCCCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O)CO/C=C\CCCCCC/C=C\CCCCCCCCCCCC