In-Silico Structure Database (LMISSD)
Common Name
PS(O-22:1(9Z)/17:0)
Systematic Name
1-(9Z-docosenyl)-2-heptadecanoyl-sn-glycero-3-phosphoserine
LM ID
LMGP03029A86
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
817.619672
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
1-alkyl,2-acylglycerophosphoserines [GP0302]
String Representations
InChiKey (Click to copy)
KSDHSHPMOAZVNZ-AOXFDOQFSA-N
InChi (Click to copy)
InChI=1S/C45H88NO9P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-38-52-39-42(40-53-56(50,51)54-41-43(46)45(48)49)55-44(47)37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h22-23,42-43H,3-21,24-41,46H2,1-2H3,(H,48,49)(H,50,51)/b23-22-/t42-,43+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCCCCCCCCCC)=O)COCCCCCCCC/C=C\CCCCCCCCCCCC)(=O)O