In-Silico Structure Database (LMISSD)
Common Name
PS(O-22:1(9Z)/22:1(13Z))
Systematic Name
1-(9Z-docosenyl)-2-(13Z-docosenoyl)-sn-glycero-3-phosphoserine
LM ID
LMGP03029BAC
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
885.682272
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
1-alkyl,2-acylglycerophosphoserines [GP0302]
String Representations
InChiKey (Click to copy)
NQOJOEPJAKWSID-BHZBDPOVSA-N
InChi (Click to copy)
InChI=1S/C50H96NO9P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-57-44-47(45-58-61(55,56)59-46-48(51)50(53)54)60-49(52)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,25,27,47-48H,3-17,19,21-24,26,28-46,51H2,1-2H3,(H,53,54)(H,55,56)/b20-18-,27-25-/t47-,48+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCCCCC/C=C\CCCCCCCC)=O)COCCCCCCCC/C=C\CCCCCCCCCCCC)(=O)O