In-Silico Structure Database (LMISSD)
Common Name
PS(33:0/22:5(7Z,10Z,13Z,16Z,19Z))
Systematic Name
1-tritriacontanoyl-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycero-3-phosphoserine
LM ID
LMGP03019E63
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1047.786737
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
Diacylglycerophosphoserines [GP0301]
String Representations
InChiKey (Click to copy)
XGTPFTJGQKGYJJ-UNGCLPKESA-N
InChi (Click to copy)
InChI=1S/C61H110NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-35-36-38-40-42-44-46-48-50-52-59(63)69-54-57(55-70-73(67,68)71-56-58(62)61(65)66)72-60(64)53-51-49-47-45-43-41-39-37-34-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,34,37,41,43,57-58H,3-5,7,9-11,13,15-17,19,21-33,35-36,38-40,42,44-56,62H2,1-2H3,(H,65,66)(H,67,68)/b8-6-,14-12-,20-18-,37-34-,43-41-/t57-,58+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(=O)O