In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP01039AAJ
Common NamePC(P-16:0/16:1(7Z))
Systematic Name1-(1Z-hexadecenyl)-2-(7Z-hexadecenoyl)-sn-glycero-3-phosphocholine
SynonymsPC(P-32:1); PC(P-16:0/16:1)
Exact Mass
715.5516 (neutral)    Calculate m/z:
FormulaC40H78NO7P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphocholines [GP01]
Sub Class1-(1Z-alkenyl),2-acylglycerophosphocholines [GP0103]
PubChem Compound ID (CID)-
InChIKeyGLFHNTZELBDHCU-PEHHIWPBSA-N
InChIInChI=1S/C40H78NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35-45-37-39(38-47
-49(43,44)46-36-34-41(3,4)5)48-40(42)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h
21,23,32,35,39H,6-20,22,24-31,33-34,36-38H2,1-5H3/b23-21-,35-32-/t39-/m1/s1
SMILES[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCC/C=C\CCCCCCCC)=O)CO/C=C\CCCCCCCCC
CCCCC
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)