In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP03039DDN
Common NamePS(P-14:0/16:0)
Systematic Name1-(1Z-tetradecenyl)-2-hexadecanoyl-sn-glycero-3-phosphoserine
SynonymsPS(P-30:0); PS(P-14:0/16:0)
Exact Mass
691.4788 (neutral)    Calculate m/z:
FormulaC36H70NO9P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoserines [GP03]
Sub Class1-(1Z-alkenyl),2-acylglycerophosphoserines [GP0303]
PubChem Compound ID (CID)-
InChIKeyVYMBKJBFRRLZCV-MHBUEFIPSA-N
InChIInChI=1S/C36H70NO9P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-35(38)46-33(31-44-4
7(41,42)45-32-34(37)36(39)40)30-43-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h27,29,
33-34H,3-26,28,30-32,37H2,1-2H3,(H,39,40)(H,41,42)/b29-27-/t33-,34+/m1/s1
SMILESC(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCCCCCCCCCCCC)=O)CO/C=C\CCCCCCCCCCCC)(
=O)O
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)