In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP01029AAE
Common NamePC(O-14:0/14:0)
Systematic Name1-tetradecyl-2-tetradecanoyl-sn-glycero-3-phosphocholine
SynonymsPC(O-28:0); PC(O-14:0/14:0)
Exact Mass
663.5203 (neutral)    Calculate m/z:
FormulaC36H74NO7P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphocholines [GP01]
Sub Class1-alkyl,2-acylglycerophosphocholines [GP0102]
PubChem Compound ID (CID)-
InChIKeyXCOSZEFYPGMWET-PGUFJCEWSA-N
InChIInChI=1S/C36H74NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-31-41-33-35(34-43-45(39
,40)42-32-30-37(3,4)5)44-36(38)29-27-25-23-21-19-17-15-13-11-9-7-2/h35H,6-34H2,1
-5H3/t35-/m1/s1
SMILES[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCCCCCCCC)=O)COCCCCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)