In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP03059AA9
Common NameLPS(20:0/0:0)
Systematic Name1-eicosanoyl-sn-glycero-3-phosphoserine
Synonyms-
Exact Mass
553.3380 (neutral)    Calculate m/z:
FormulaC26H52NO9P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoserines [GP03]
Sub ClassMonoacylglycerophosphoserines [GP0305]
PubChem Compound ID (CID)-
InChIKeyJRLGKCGUDLONSO-RPWUZVMVSA-N
InChIInChI=1S/C26H52NO9P/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/h23-24,28H,2-22,27H2,1H3,(H,30,31)(H,
32,33)/t23-,24+/m1/s1
SMILESC(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(O)COC(CCCCCCCCCCCCCCCCCCC)=O)(=O)O
MS Spectra-     
StatusActive (generated by computational methods)