In-Silico Structure Database (LMISSD)
Common Name
PS(28:0/22:2(13Z,16Z))
Systematic Name
1-octacosanoyl-2-(13Z,16Z-docosadienoyl)-sn-glycero-3-phosphoserine
LM ID
LMGP03019EVH
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
983.755437
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
Diacylglycerophosphoserines [GP0301]
String Representations
InChiKey (Click to copy)
LTALVFLUJRXISJ-FBECBSNQSA-N
InChi (Click to copy)
InChI=1S/C56H106NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-30-31-33-35-37-39-41-43-45-47-54(58)64-49-52(50-65-68(62,63)66-51-53(57)56(60)61)67-55(59)48-46-44-42-40-38-36-34-32-29-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,52-53H,3-11,13,15-17,19,21-51,57H2,1-2H3,(H,60,61)(H,62,63)/b14-12-,20-18-/t52-,53+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCCCCC/C=C\C/C=C\CCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(=O)O