In-Silico Structure Database (LMISSD)
Common Name
PS(O-22:0/24:0)
Systematic Name
1-docosyl-2-tetracosanoyl-sn-glycero-3-phosphoserine
LM ID
LMGP03029A5Y
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
917.744872
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
1-alkyl,2-acylglycerophosphoserines [GP0302]
String Representations
InChiKey (Click to copy)
XEVQEEVDHNLXDI-DJBVYZKNSA-N
InChi (Click to copy)
InChI=1S/C52H104NO9P/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-28-30-32-34-36-38-40-42-44-51(54)62-49(47-60-63(57,58)61-48-50(53)52(55)56)46-59-45-43-41-39-37-35-33-31-29-27-24-22-20-18-16-14-12-10-8-6-4-2/h49-50H,3-48,53H2,1-2H3,(H,55,56)(H,57,58)/t49-,50+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCC)=O)COCCCCCCCCCCCCCCCCCCCCCC)(=O)O