In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP03039DD9
Common NamePS(P-14:0/18:3(6Z,9Z,12Z))
Systematic Name1-(1Z-tetradecenyl)-2-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3-phosphoserine
SynonymsPS(P-32:3); PS(P-14:0/18:3)
Exact Mass
713.4632 (neutral)    Calculate m/z:
FormulaC38H68NO9P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoserines [GP03]
Sub Class1-(1Z-alkenyl),2-acylglycerophosphoserines [GP0303]
PubChem Compound ID (CID)-
InChIKeyYKTKOYLQDXNZGJ-QZBBEXIRSA-N
InChIInChI=1S/C38H68NO9P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-37(40)48-35(3
3-46-49(43,44)47-34-36(39)38(41)42)32-45-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h
11,13,17-18,20,22,29,31,35-36H,3-10,12,14-16,19,21,23-28,30,32-34,39H2,1-2H3,(H,
41,42)(H,43,44)/b13-11-,18-17-,22-20-,31-29-/t35-,36+/m1/s1
SMILESC(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCC/C=C\C/C=C\C/C=C\CCCCC)=O)CO/C=C\CCC
CCCCCCCCC)(=O)O
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)