In-Silico Structure Database (LMISSD)
Common Name
PS(O-18:0/24:4(5Z,8Z,11Z,14Z))
Systematic Name
1-octadecyl-2-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-sn-glycero-3-phosphoserine
LM ID
LMGP03029ANK
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
853.619672
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
1-alkyl,2-acylglycerophosphoserines [GP0302]
String Representations
InChiKey (Click to copy)
BFBNDKYXBLHCHV-OZESFVCOSA-N
InChi (Click to copy)
InChI=1S/C48H88NO9P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-47(50)58-45(43-56-59(53,54)57-44-46(49)48(51)52)42-55-41-39-37-35-33-31-29-27-20-18-16-14-12-10-8-6-4-2/h19,21,23-24,26,28,32,34,45-46H,3-18,20,22,25,27,29-31,33,35-44,49H2,1-2H3,(H,51,52)(H,53,54)/b21-19-,24-23-,28-26-,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\C/C=C\C/C=C\CCCCCCCCC)=O)COCCCCCCCCCCCCCCCCCC)(=O)O