In-Silico Structure Database (LMISSD)
Common Name
PS(32:0/18:1(11E))
Systematic Name
1-dotriacontanoyl-2-(11E-octadecenoyl)-sn-glycero-3-phosphoserine
LM ID
LMGP03019E3M
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
985.771087
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
Diacylglycerophosphoserines [GP0301]
String Representations
InChiKey (Click to copy)
QTYXURQUFIMKOR-MUFCGFGXSA-N
InChi (Click to copy)
InChI=1S/C56H108NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-35-37-39-41-43-45-47-54(58)64-49-52(50-65-68(62,63)66-51-53(57)56(60)61)67-55(59)48-46-44-42-40-38-36-33-18-16-14-12-10-8-6-4-2/h14,16,52-53H,3-13,15,17-51,57H2,1-2H3,(H,60,61)(H,62,63)/b16-14+/t52-,53+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCCC/C=C/CCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(=O)O