In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP03059ABH
Common NameLPS(20:3(8Z,11Z,14Z)/0:0)
Systematic Name1-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycero-3-phosphoserine
Synonyms-
Exact Mass
547.2910 (neutral)    Calculate m/z:
FormulaC26H46NO9P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoserines [GP03]
Sub ClassMonoacylglycerophosphoserines [GP0305]
PubChem Compound ID (CID)-
InChIKeyFTZJCZOBXWCRPG-YLXGIGILSA-N
InChIInChI=1S/C26H46NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(29)34-20
-23(28)21-35-37(32,33)36-22-24(27)26(30)31/h6-7,9-10,12-13,23-24,28H,2-5,8,11,14
-22,27H2,1H3,(H,30,31)(H,32,33)/b7-6-,10-9-,13-12-/t23-,24+/m1/s1
SMILESC(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(O)COC(CCCCCC/C=CC/C=CC/C=CCCCCC)=O)(=O)O
MS Spectra-     
StatusActive (generated by computational methods)