In-Silico Structure Database (LMISSD)
Common Name
PS(O-22:1(9Z)/20:4(7E,10E,13E,16E))
Systematic Name
1-(9Z-docosenyl)-2-(7E,10E,13E,16E-eicosatetraenoyl)-sn-glycero-3-phosphoserine
LM ID
LMGP03029A98
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
851.604022
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
1-alkyl,2-acylglycerophosphoserines [GP0302]
String Representations
InChiKey (Click to copy)
FMHGEOQAFVIHLW-FJOGUPPOSA-N
InChi (Click to copy)
InChI=1S/C48H86NO9P/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/h8,10,14,16,20,23-25,28,30,45-46H,3-7,9,11-13,15,17-19,21-22,26-27,29,31-44,49H2,1-2H3,(H,51,52)(H,53,54)/b10-8+,16-14+,24-20+,25-23-,30-28+/t45-,46+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)=O)COCCCCCCCC/C=C\CCCCCCCCCCCC)(=O)O