In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP03039DEK
Common NamePS(P-14:0/20:2(5Z,8Z))
Systematic Name1-(1Z-tetradecenyl)-2-(5Z,8Z-eicosadienoyl)-sn-glycero-3-phosphoserine
SynonymsPS(P-34:2); PS(P-14:0/20:2)
Exact Mass
743.5101 (neutral)    Calculate m/z:
FormulaC40H74NO9P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoserines [GP03]
Sub Class1-(1Z-alkenyl),2-acylglycerophosphoserines [GP0303]
PubChem Compound ID (CID)-
InChIKeyRQDWIDJEQGYYDN-IOXWXDHRSA-N
InChIInChI=1S/C40H74NO9P/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/h20-21,24,26,31,33,37-38H,3-19,22-23,25,27-30,32,34-36,41H2,1-2H3,(H,43,44)
(H,45,46)/b21-20-,26-24-,33-31-/t37-,38+/m1/s1
SMILESC(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCC/C=C\C/C=C\CCCCCCCCCCC)=O)CO/C=C\CCCC
CCCCCCCC)(=O)O
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)