In-Silico Structure Database (LMISSD)
Common Name
PS(12:0/5:0(5OH,5Ke))
Systematic Name
1-dodecanoyl-2-glutaroyl-sn-glycero-3-phosphoserine
LM ID
LMGP20049AFI
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
555.244467
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Oxidized glycerophospholipids [GP20]
Oxidized glycerophosphoserines [GP2004]
String Representations
InChiKey (Click to copy)
INEPPIPOEAWXTD-MOPGFXCFSA-N
InChi (Click to copy)
InChI=1S/C23H42NO12P/c1-2-3-4-5-6-7-8-9-10-13-21(27)33-15-18(36-22(28)14-11-12-20(25)26)16-34-37(31,32)35-17-19(24)23(29)30/h18-19H,2-17,24H2,1H3,(H,25,26)(H,29,30)(H,31,32)/t18-,19+/m1/s1
SMILES (Click to copy)
C(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCC(=O)O)=O)COC(CCCCCCCCCCC)=O)(=O)O