In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP03029ABK
Common NamePS(O-14:0/20:4(5Z,8Z,11Z,13E))
Systematic Name1-tetradecyl-2-(5Z,8Z,11Z,13E-eicosatetraenoyl)-sn-glycero-3-phosphoserine
SynonymsPS(O-34:4); PS(O-14:0/20:4)
Exact Mass
741.4945 (neutral)    Calculate m/z:
FormulaC40H72NO9P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoserines [GP03]
Sub Class1-alkyl,2-acylglycerophosphoserines [GP0302]
PubChem Compound ID (CID)-
InChIKeyIVBGXPKZQHDXED-OBAZMMTFSA-N
InChIInChI=1S/C40H72NO9P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-39(42)5
0-37(35-48-51(45,46)49-36-38(41)40(43)44)34-47-33-31-29-27-25-23-16-14-12-10-8-6
-4-2/h13,15,17-18,20-21,24,26,37-38H,3-12,14,16,19,22-23,25,27-36,41H2,1-2H3,(H,
43,44)(H,45,46)/b15-13+,18-17-,21-20-,26-24-/t37-,38+/m1/s1
SMILESC(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C=C\CCCCCC)=O)COCCCC
CCCCCCCCCC)(=O)O
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)