In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP01029AAQ
Common NamePC(O-14:0/18:1(11Z))
Systematic Name1-tetradecyl-2-(11Z-octadecenoyl)-sn-glycero-3-phosphocholine
SynonymsPC(O-32:1); PC(O-14:0/18:1)
Exact Mass
717.5672 (neutral)    Calculate m/z:
FormulaC40H80NO7P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphocholines [GP01]
Sub Class1-alkyl,2-acylglycerophosphocholines [GP0102]
PubChem Compound ID (CID)-
InChIKeyNJOWFCGWDGBYGC-MGIDVFSBSA-N
InChIInChI=1S/C40H80NO7P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-40(42)48-39
(38-47-49(43,44)46-36-34-41(3,4)5)37-45-35-32-30-28-26-24-19-17-15-13-11-9-7-2/h
16,18,39H,6-15,17,19-38H2,1-5H3/b18-16-/t39-/m1/s1
SMILES[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCCCC/C=C\CCCCCC)=O)COCCCCCCCCCCCC
CC
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)