In-Silico Structure Database (LMISSD)
Common Name
PS(O-20:1(11Z)/24:4(5Z,8Z,11Z,14Z))
Systematic Name
1-(11Z-eicosenyl)-2-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-sn-glycero-3-phosphoserine
LM ID
LMGP03029AWS
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
879.635322
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
1-alkyl,2-acylglycerophosphoserines [GP0302]
String Representations
InChiKey (Click to copy)
HYCNQVHJIQUMLS-OJDDSIIRSA-N
InChi (Click to copy)
InChI=1S/C50H90NO9P/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-28-30-32-34-36-38-40-42-49(52)60-47(45-58-61(55,56)59-46-48(51)50(53)54)44-57-43-41-39-37-35-33-31-29-27-22-20-18-16-14-12-10-8-6-4-2/h18-21,24-25,28,30,34,36,47-48H,3-17,22-23,26-27,29,31-33,35,37-46,51H2,1-2H3,(H,53,54)(H,55,56)/b20-18-,21-19-,25-24-,30-28-,36-34-/t47-,48+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC)=O)COCCCCCCCCCC/C=C\CCCCCCCC)(=O)O