In-Silico Structure Database (LMISSD)
Common Name
PGP(O-22:1(9Z)/22:2(13Z,16Z))
Systematic Name
1-(9Z-docosenyl)-2-(13Z,16Z-docosadienoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
LM ID
LMGP05029BAD
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
950.637706
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoglycerophosphates [GP05]
1-alkyl,2-acylglycerophosphoglycerophosphates [GP0502]
String Representations
InChiKey (Click to copy)
DUFYUNGAMSJBAK-VBBIHHRSSA-N
InChi (Click to copy)
InChI=1S/C50H96O12P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-58-46-49(47-61-64(56,57)60-45-48(51)44-59-63(53,54)55)62-50(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,25,27,48-49,51H,3-11,13,15-17,19,21-24,26,28-47H2,1-2H3,(H,56,57)(H2,53,54,55)/b14-12-,20-18-,27-25-/t48-,49+/m0/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCC/C=C\C/C=C\CCCCC)=O)(COP(=O)(O)OC[C@@]([H])(O)COP(O)(O)=O)COCCCCCCCC/C=C\CCCCCCCCCCCC