In-Silico Structure Database (LMISSD)
Common Name
PS(30:0/39:0)
Systematic Name
1-triacontanoyl-2-nonatriacontanoyl-sn-glycero-3-phosphoserine
LM ID
LMGP03019E0V
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1254.084087
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
Diacylglycerophosphoserines [GP0301]
String Representations
InChiKey (Click to copy)
IJVRGXQTGGZNBB-KPBBBUKSSA-N
InChi (Click to copy)
InChI=1S/C75H148NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-33-34-35-36-37-38-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-74(78)86-71(69-84-87(81,82)85-70-72(76)75(79)80)68-83-73(77)66-64-62-60-58-56-54-52-50-48-46-44-42-40-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h71-72H,3-70,76H2,1-2H3,(H,79,80)(H,81,82)/t71-,72+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(=O)O