In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP03059AA4
Common NameLPS(18:3(6Z,9Z,12Z)/0:0)
Systematic Name1-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3-phosphoserine
Synonyms-
Exact Mass
519.2597 (neutral)    Calculate m/z:
FormulaC24H42NO9P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoserines [GP03]
Sub ClassMonoacylglycerophosphoserines [GP0305]
PubChem Compound ID (CID)-
InChIKeyNBUUZDKWUDLKIB-QYDRLJNVSA-N
InChIInChI=1S/C24H42NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)32-18-21(26
)19-33-35(30,31)34-20-22(25)24(28)29/h6-7,9-10,12-13,21-22,26H,2-5,8,11,14-20,25
H2,1H3,(H,28,29)(H,30,31)/b7-6-,10-9-,13-12-/t21-,22+/m1/s1
SMILESC(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(O)COC(CCCC/C=CC/C=CC/C=CCCCCC)=O)(=O)O
MS Spectra-     
StatusActive (generated by computational methods)