In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP03019ASZ
Common NamePS(16:0/16:1(7Z))
Systematic Name1-hexadecanoyl-2-(7Z-hexadecenoyl)-sn-glycero-3-phosphoserine
SynonymsPS(32:1); PS(16:0_16:1)
Exact Mass
733.4894 (neutral)    Calculate m/z:
FormulaC38H72NO10P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoserines [GP03]
Sub ClassDiacylglycerophosphoserines [GP0301]
PubChem Compound ID (CID)-
InChIKeyOZIDQRLWZQNUMH-YZDYGIHBSA-N
InChIInChI=1S/C38H72NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(40)46-31-34(32-
47-50(44,45)48-33-35(39)38(42)43)49-37(41)30-28-26-24-22-20-18-16-14-12-10-8-6-4
-2/h18,20,34-35H,3-17,19,21-33,39H2,1-2H3,(H,42,43)(H,44,45)/b20-18-/t34-,35+/m1
/s1
SMILESC(O)(=O)[C@@]([H])(N)COP(OC[C@]([H])(OC(CCCCC/C=C\CCCCCCCC)=O)COC(CCCCCCCCCCCCCC
C)=O)(=O)O
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)