In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP01029AGZ
Common NamePC(O-16:0/32:0)
Systematic Name1-hexadecyl-2-dotriacontanoyl-sn-glycero-3-phosphocholine
SynonymsPC(O-48:0); PC(O-16:0/32:0)
Exact Mass
943.8333 (neutral)    Calculate m/z:
FormulaC56H114NO7P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphocholines [GP01]
Sub Class1-alkyl,2-acylglycerophosphocholines [GP0102]
PubChem Compound ID (CID)-
InChIKeyPKNDDJHPPHNYKV-KZRJWCEASA-N
InChIInChI=1S/C56H114NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-30-31-32-3
3-34-35-36-37-39-41-43-45-47-49-56(58)64-55(54-63-65(59,60)62-52-50-57(3,4)5)53-
61-51-48-46-44-42-40-38-21-19-17-15-13-11-9-7-2/h55H,6-54H2,1-5H3/t55-/m1/s1
SMILES[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC
CCCCCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)