In-Silico Structure Database (LMISSD)
Common Name
PS(18:2(9E,11E)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Systematic Name
1-(9E,11E-octadecadienoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoserine
LM ID
LMGP03019BZV
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
831.505037
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoserines [GP03]
Diacylglycerophosphoserines [GP0301]
String Representations
InChiKey (Click to copy)
XEFKHRFJCQQKDY-YOTVIDRSSA-N
InChi (Click to copy)
InChI=1S/C46H74NO10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-45(49)57-42(40-55-58(52,53)56-41-43(47)46(50)51)39-54-44(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-19,21-23,26,28,32,34,42-43H,3-4,6,8-10,12,15,20,24-25,27,29-31,33,35-41,47H2,1-2H3,(H,50,51)(H,52,53)/b7-5-,13-11-,16-14+,19-17-,22-21-,23-18+,28-26-,34-32-/t42-,43+/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=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCC/C=C/C=C/CCCCCC)=O)(=O)O