In-Silico Structure Database (LMISSD)
Common Name
PS(33:0/20:4(5Z,8Z,10E,14Z))
Systematic Name
1-tritriacontanoyl-2-(5Z,8Z,10E,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoserine
LM ID
LMGP03019E6R
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1021.771087
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
Diacylglycerophosphoserines [GP0301]
String Representations
InChiKey (Click to copy)
PMQLSUXEDIMRHT-CTANXUFFSA-N
InChi (Click to copy)
InChI=1S/C59H108NO10P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-35-36-38-40-42-44-46-48-50-57(61)67-52-55(53-68-71(65,66)69-54-56(60)59(63)64)70-58(62)51-49-47-45-43-41-39-37-34-20-18-16-14-12-10-8-6-4-2/h12,14,20,34,37,39,43,45,55-56H,3-11,13,15-19,21-33,35-36,38,40-42,44,46-54,60H2,1-2H3,(H,63,64)(H,65,66)/b14-12-,34-20+,39-37-,45-43-/t55-,56+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCC/C=C\C/C=C\C=C\CC/C=C\CCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(=O)O