In-Silico Structure Database (LMISSD)
Common Name
PS(O-22:1(9Z)/21:0)
Systematic Name
1-(9Z-docosenyl)-2-heneicosanoyl-sn-glycero-3-phosphoserine
LM ID
LMGP03029BAA
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
873.682272
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
1-alkyl,2-acylglycerophosphoserines [GP0302]
String Representations
InChiKey (Click to copy)
JGZBFXBVTVVLFA-KDDKSMKGSA-N
InChi (Click to copy)
InChI=1S/C49H96NO9P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-56-43-46(44-57-60(54,55)58-45-47(50)49(52)53)59-48(51)41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h24,26,46-47H,3-23,25,27-45,50H2,1-2H3,(H,52,53)(H,54,55)/b26-24-/t46-,47+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCC)=O)COCCCCCCCC/C=C\CCCCCCCCCCCC)(=O)O