In-Silico Structure Database (LMISSD)
Common Name
PS(O-22:0/18:2(2E,4E))
Systematic Name
1-docosyl-2-(2E,4E-octadecadienoyl)-sn-glycero-3-phosphoserine
LM ID
LMGP03029A4X
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
829.619672
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
1-alkyl,2-acylglycerophosphoserines [GP0302]
String Representations
InChiKey (Click to copy)
XDXBMJCQMXBUSV-FWVIBVKSSA-N
InChi (Click to copy)
InChI=1S/C46H88NO9P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-39-53-40-43(41-54-57(51,52)55-42-44(47)46(49)50)56-45(48)38-36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h32,34,36,38,43-44H,3-31,33,35,37,39-42,47H2,1-2H3,(H,49,50)(H,51,52)/b34-32+,38-36+/t43-,44+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(/C=C/C=C/CCCCCCCCCCCCC)=O)COCCCCCCCCCCCCCCCCCCCCCC)(=O)O