In-Silico Structure Database (LMISSD)
Common Name
PS(O-16:1(11Z)/26:2(5Z,9Z))
Systematic Name
1-(11Z-hexadecenyl)-2-(5Z,9Z-hexacosadienoyl)-sn-glycero-3-phosphoserine
LM ID
LMGP03029AI4
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
855.635322
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
1-alkyl,2-acylglycerophosphoserines [GP0302]
String Representations
InChiKey (Click to copy)
YQNIBOCYGONXKN-VNPAVVHZSA-N
InChi (Click to copy)
InChI=1S/C48H90NO9P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-47(50)58-45(43-56-59(53,54)57-44-46(49)48(51)52)42-55-41-39-37-35-33-31-29-18-16-14-12-10-8-6-4-2/h10,12,26-27,32,34,45-46H,3-9,11,13-25,28-31,33,35-44,49H2,1-2H3,(H,51,52)(H,53,54)/b12-10-,27-26-,34-32-/t45-,46+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCC/C=C\CC/C=C\CCCCCCCCCCCCCCCC)=O)COCCCCCCCCCC/C=C\CCCC)(=O)O