In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP01039DDG
Common NamePC(P-14:0/11:0)
Systematic Name1-(1Z-tetradecenyl)-2-undecanoyl-sn-glycero-3-phosphocholine
SynonymsPC(P-25:0); PC(P-14:0/11:0)
Exact Mass
619.4577 (neutral)    Calculate m/z:
FormulaC33H66NO7P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphocholines [GP01]
Sub Class1-(1Z-alkenyl),2-acylglycerophosphocholines [GP0103]
PubChem Compound ID (CID)-
InChIKeyNQFLLPHQVATAHB-PRKNVFMNSA-N
InChIInChI=1S/C33H66NO7P/c1-6-8-10-12-14-16-17-18-19-21-23-25-28-38-30-32(31-40-42(36
,37)39-29-27-34(3,4)5)41-33(35)26-24-22-20-15-13-11-9-7-2/h25,28,32H,6-24,26-27,
29-31H2,1-5H3/b28-25-/t32-/m1/s1
SMILES[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCCCCC)=O)CO/C=C\CCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)