In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP01039AXE
Common NamePC(P-22:1(11Z)/12:0)
Systematic Name1-(1Z,11Z-docosenyl)-2-dodecanoyl-sn-glycero-3-phosphocholine
SynonymsPC(P-34:1); PC(P-22:1/12:0)
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)-
InChIKeyGMGMDNHMQBXDSH-ILDAMNDZSA-N
InChIInChI=1S/C42H82NO7P/c1-6-8-10-12-14-16-17-18-19-20-21-22-23-24-25-26-28-30-32-34
-37-47-39-41(40-49-51(45,46)48-38-36-43(3,4)5)50-42(44)35-33-31-29-27-15-13-11-9
-7-2/h20-21,34,37,41H,6-19,22-33,35-36,38-40H2,1-5H3/b21-20-,37-34-/t41-/m1/s1
SMILES[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCCCCCC)=O)CO/C=C\CCCCCCCC/C=C\CCC
CCCCCCC
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)