In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP01039DEG
Common NamePC(P-14:0/20:1(13E))
Systematic Name1-(1Z-tetradecenyl)-2-(13E-eicosenoyl)-sn-glycero-3-phosphocholine
SynonymsPC(P-34:1); PC(P-14:0/20:1)
Exact Mass
743.5829 (neutral)    Calculate m/z:
FormulaC42H82NO7P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphocholines [GP01]
Sub Class1-(1Z-alkenyl),2-acylglycerophosphocholines [GP0103]
PubChem Compound ID (CID)-
InChIKeyZZZPWFUHIFMANC-VVUXHHGESA-N
InChIInChI=1S/C42H82NO7P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-42(44
)50-41(40-49-51(45,46)48-38-36-43(3,4)5)39-47-37-34-32-30-28-26-19-17-15-13-11-9
-7-2/h16,18,34,37,41H,6-15,17,19-33,35-36,38-40H2,1-5H3/b18-16+,37-34-/t41-/m1/s
1
SMILES[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCCCCCC/C=C/CCCCCC)=O)CO/C=C\CCCCC
CCCCCCC
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)