In-Silico Structure Database (LMISSD)
Common Name
PS(O-18:1(11Z)/32:0)
Systematic Name
1-(11Z-octadecenyl)-2-dotriacontanoyl-sn-glycero-3-phosphoserine
LM ID
LMGP03029AP7
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
971.791822
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
1-alkyl,2-acylglycerophosphoserines [GP0302]
String Representations
InChiKey (Click to copy)
JXQHZFXDZKYDEF-QWPJIOFJSA-N
InChi (Click to copy)
InChI=1S/C56H110NO9P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-38-40-42-44-46-48-55(58)66-53(51-64-67(61,62)65-52-54(57)56(59)60)50-63-49-47-45-43-41-39-37-35-20-18-16-14-12-10-8-6-4-2/h14,16,53-54H,3-13,15,17-52,57H2,1-2H3,(H,59,60)(H,61,62)/b16-14-/t53-,54+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COCCCCCCCCCC/C=C\CCCCCC)(=O)O