In-Silico Structure Database (LMISSD)
Common Name
PS(O-20:0/20:2(5Z,8Z))
Systematic Name
1-eicosyl-2-(5Z,8Z-eicosadienoyl)-sn-glycero-3-phosphoserine
LM ID
LMGP03029ATV
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
829.619672
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
1-alkyl,2-acylglycerophosphoserines [GP0302]
String Representations
InChiKey (Click to copy)
OKJIEVFBTCHDAE-BMYXOPJNSA-N
InChi (Click to copy)
InChI=1S/C46H88NO9P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-53-40-43(41-54-57(51,52)55-42-44(47)46(49)50)56-45(48)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h24,26,30,32,43-44H,3-23,25,27-29,31,33-42,47H2,1-2H3,(H,49,50)(H,51,52)/b26-24-,32-30-/t43-,44+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCC/C=C\C/C=C\CCCCCCCCCCC)=O)COCCCCCCCCCCCCCCCCCCCC)(=O)O