In-Silico Structure Database (LMISSD)
Common Name
PS(11:0/22:6(4Z,7Z,9E,13Z,16Z,19Z)(11OH))
Systematic Name
1-undecanoyl-2-(11-HDoHE)-sn-glycero-3-phosphoserine
LM ID
LMGP20049ADE
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
753.421702
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoserines [GP2004]
String Representations
InChiKey (Click to copy)
NYWIRXIXBHXRGI-DTRYCNFNSA-N
InChi (Click to copy)
InChI=1S/C39H64NO11P/c1-3-5-7-9-11-13-15-19-23-27-34(41)28-24-20-16-14-18-22-26-30-38(43)51-35(32-49-52(46,47)50-33-36(40)39(44)45)31-48-37(42)29-25-21-17-12-10-8-6-4-2/h5,7,11,13,16,18-20,22-24,28,34-36,41H,3-4,6,8-10,12,14-15,17,21,25-27,29-33,40H2,1-2H3,(H,44,45)(H,46,47)/b7-5-,13-11-,20-16-,22-18-,23-19-,28-24+/t34?,35-,36+/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(O)C/C=C\C/C=C\C/C=C\CC)=O)COC(CCCCCCCCCC)=O)(=O)O