In-Silico Structure Database (LMISSD)
Common Name
PS(P-16:0/26:1(5Z))
Systematic Name
1-(1Z-hexadecenyl)-2-(5Z-hexacosenoyl)-sn-glycero-3-phosphoserine
LM ID
LMGP03039AB4
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-(1Z-alkenyl),2-acylglycerophosphoserines [GP0303]
String Representations
InChiKey (Click to copy)
XBQHMZAYVDPQLB-UJWCNCLDSA-N
InChi (Click to copy)
InChI=1S/C48H92NO9P/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/h32,34,39,41,45-46H,3-31,33,35-38,40,42-44,49H2,1-2H3,(H,51,52)(H,53,54)/b34-32-,41-39-/t45-,46+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCC/C=C\CCCCCCCCCCCCCCCCCCCC)=O)CO/C=C\CCCCCCCCCCCCCC)(=O)O