In-Silico Structure Database (LMISSD)
Common Name
PS(O-22:0/21:0)
Systematic Name
1-docosyl-2-heneicosanoyl-sn-glycero-3-phosphoserine
LM ID
LMGP03029A5O
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
875.697922
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
1-alkyl,2-acylglycerophosphoserines [GP0302]
String Representations
InChiKey (Click to copy)
AIJSGUUAYUCTNB-ZYIRWWKFSA-N
InChi (Click to copy)
InChI=1S/C49H98NO9P/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/h46-47H,3-45,50H2,1-2H3,(H,52,53)(H,54,55)/t46-,47+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCC)=O)COCCCCCCCCCCCCCCCCCCCCCC)(=O)O