In-Silico Structure Database (LMISSD)
Common Name
PS(O-22:1(9Z)/19:0)
Systematic Name
1-(9Z-docosenyl)-2-nonadecanoyl-sn-glycero-3-phosphoserine
LM ID
LMGP03029A9T
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
845.650972
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
1-alkyl,2-acylglycerophosphoserines [GP0302]
String Representations
InChiKey (Click to copy)
WWQHDODZAKJDIX-XEPMJFEGSA-N
InChi (Click to copy)
InChI=1S/C47H92NO9P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40-54-41-44(42-55-58(52,53)56-43-45(48)47(50)51)57-46(49)39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h23-24,44-45H,3-22,25-43,48H2,1-2H3,(H,50,51)(H,52,53)/b24-23-/t44-,45+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCCCCCCCCCCCC)=O)COCCCCCCCC/C=C\CCCCCCCCCCCC)(=O)O