In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP01039DDK
Common NamePC(P-14:0/14:1(9Z))
Systematic Name1-(1Z-tetradecenyl)-2-(9Z-tetradecenoyl)-sn-glycero-3-phosphocholine
SynonymsPC(P-28:1); PC(P-14:0/14:1)
Exact Mass
659.4890 (neutral)    Calculate m/z:
FormulaC36H70NO7P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphocholines [GP01]
Sub Class1-(1Z-alkenyl),2-acylglycerophosphocholines [GP0103]
PubChem Compound ID (CID)-
InChIKeyKSGSISHNRGSDPN-SUOWHWAOSA-N
InChIInChI=1S/C36H70NO7P/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/h13,15,28,31,
35H,6-12,14,16-27,29-30,32-34H2,1-5H3/b15-13-,31-28-/t35-/m1/s1
SMILES[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCC/C=C\CCCC)=O)CO/C=C\CCCCCCCCCCC
C
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)