In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP03059AAY
Common NameLPS(18:2(2E,4E)/0:0)
Systematic Name1-(2E,4E-octadecadienoyl)-sn-glycero-3-phosphoserine
Synonyms-
Exact Mass
521.2754 (neutral)    Calculate m/z:
FormulaC24H44NO9P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoserines [GP03]
Sub ClassMonoacylglycerophosphoserines [GP0305]
PubChem Compound ID (CID)-
InChIKeyQMHBBXYQBJSTIV-KFGHOWBRSA-N
InChIInChI=1S/C24H44NO9P/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/h14-17,21-22,26H,2-13,18-20,25H2,1H3,(H,28,
29)(H,30,31)/b15-14+,17-16+/t21-,22+/m1/s1
SMILESC(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(O)COC(/C=C/C=C/CCCCCCCCCCCCC)=O)(=O)O
MS Spectra-     
StatusActive (generated by computational methods)