In-Silico Structure Database (LMISSD)
Common Name
PS(O-22:0/20:2(5Z,8Z))
Systematic Name
1-docosyl-2-(5Z,8Z-eicosadienoyl)-sn-glycero-3-phosphoserine
LM ID
LMGP03029A5E
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
857.650972
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
1-alkyl,2-acylglycerophosphoserines [GP0302]
String Representations
InChiKey (Click to copy)
XRYUJCQVRZEGPX-UDRVKBBCSA-N
InChi (Click to copy)
InChI=1S/C48H92NO9P/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-41-55-42-45(43-56-59(53,54)57-44-46(49)48(51)52)58-47(50)40-38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h26,28,32,34,45-46H,3-25,27,29-31,33,35-44,49H2,1-2H3,(H,51,52)(H,53,54)/b28-26-,34-32-/t45-,46+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCC/C=C\C/C=C\CCCCCCCCCCC)=O)COCCCCCCCCCCCCCCCCCCCCCC)(=O)O