In-Silico Structure Database (LMISSD)
Common Name
PS(30:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Systematic Name
1-triacontanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoserine
LM ID
LMGP03019EZ8
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1003.724137
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
Diacylglycerophosphoserines [GP0301]
String Representations
InChiKey (Click to copy)
DMIFGVQVUKFLDW-SRYAHMBQSA-N
InChi (Click to copy)
InChI=1S/C58H102NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-32-33-35-37-39-41-43-45-47-49-56(60)66-51-54(52-67-70(64,65)68-53-55(59)58(62)63)69-57(61)50-48-46-44-42-40-38-36-34-31-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,31,34,38,40,44,46,54-55H,3-5,7,9-11,13,15-17,19,21-30,32-33,35-37,39,41-43,45,47-53,59H2,1-2H3,(H,62,63)(H,64,65)/b8-6-,14-12-,20-18-,34-31-,40-38-,46-44-/t54-,55+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(=O)O