In-Silico Structure Database (LMISSD)
Common Name
PS(O-22:0/22:6(4Z,7Z,10Z,12E,16Z,19Z))
Systematic Name
1-docosyl-2-(4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoserine
LM ID
LMGP03029A5V
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
877.619672
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
1-alkyl,2-acylglycerophosphoserines [GP0302]
String Representations
InChiKey (Click to copy)
AAMONIUUYVADIC-KDDXPIEQSA-N
InChi (Click to copy)
InChI=1S/C50H88NO9P/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/h6,8,12,14,20,22,24,26,30,32,36,38,47-48H,3-5,7,9-11,13,15-19,21,23,25,27-29,31,33-35,37,39-46,51H2,1-2H3,(H,53,54)(H,55,56)/b8-6-,14-12-,22-20+,26-24-,32-30-,38-36-/t47-,48+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C=C\CC/C=C\C/C=C\CC)=O)COCCCCCCCCCCCCCCCCCCCCCC)(=O)O