In-Silico Structure Database (LMISSD)
Common Name
PS(O-22:0/22:0)
Systematic Name
1-docosyl-2-docosanoyl-sn-glycero-3-phosphoserine
LM ID
LMGP03029A5P
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
889.713572
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
1-alkyl,2-acylglycerophosphoserines [GP0302]
String Representations
InChiKey (Click to copy)
PHVNDCDRANEGQK-QGSYYBFSSA-N
InChi (Click to copy)
InChI=1S/C50H100NO9P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-57-44-47(45-58-61(55,56)59-46-48(51)50(53)54)60-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h47-48H,3-46,51H2,1-2H3,(H,53,54)(H,55,56)/t47-,48+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCC)=O)COCCCCCCCCCCCCCCCCCCCCCC)(=O)O