In-Silico Structure Database (LMISSD)
Common Name
PS(O-22:0/26:2(5Z,9Z))
Systematic Name
1-docosyl-2-(5Z,9Z-hexacosadienoyl)-sn-glycero-3-phosphoserine
LM ID
LMGP03029A56
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
941.744872
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
1-alkyl,2-acylglycerophosphoserines [GP0302]
String Representations
InChiKey (Click to copy)
NCPPLYYCSQHNIC-JCSPBWHHSA-N
InChi (Click to copy)
InChI=1S/C54H104NO9P/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-27-28-30-32-34-36-38-40-42-44-46-53(56)64-51(49-62-65(59,60)63-50-52(55)54(57)58)48-61-47-45-43-41-39-37-35-33-31-29-24-22-20-18-16-14-12-10-8-6-4-2/h30,32,38,40,51-52H,3-29,31,33-37,39,41-50,55H2,1-2H3,(H,57,58)(H,59,60)/b32-30-,40-38-/t51-,52+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCC/C=C\CC/C=C\CCCCCCCCCCCCCCCC)=O)COCCCCCCCCCCCCCCCCCCCCCC)(=O)O