In-Silico Structure Database (LMISSD)
Common Name
PS(O-20:0/32:0)
Systematic Name
1-eicosyl-2-dotriacontanoyl-sn-glycero-3-phosphoserine
LM ID
LMGP03029AUT
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1001.838772
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
1-alkyl,2-acylglycerophosphoserines [GP0302]
String Representations
InChiKey (Click to copy)
JAOPLTBPPPAPNI-PLVVXOMOSA-N
InChi (Click to copy)
InChI=1S/C58H116NO9P/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-36-38-40-42-44-46-48-50-57(60)68-55(53-66-69(63,64)67-54-56(59)58(61)62)52-65-51-49-47-45-43-41-39-37-35-22-20-18-16-14-12-10-8-6-4-2/h55-56H,3-54,59H2,1-2H3,(H,61,62)(H,63,64)/t55-,56+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COCCCCCCCCCCCCCCCCCCCC)(=O)O