In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP01039AL5
Common NamePC(P-18:1(9Z)/17:1(9Z))
Systematic Name1-(1Z,9Z-octadecadienyl)-2-(9Z-heptadecenoyl)-sn-glycero-3-phosphocholine
SynonymsPC(P-35:2); PC(P-18:1/17:1)
Exact Mass
755.5829 (neutral)    Calculate m/z:
FormulaC43H82NO7P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphocholines [GP01]
Sub Class1-(1Z-alkenyl),2-acylglycerophosphocholines [GP0103]
PubChem Compound ID (CID)-
InChIKeyBVVOCMMPAUEWJQ-NTMPJORBSA-N
InChIInChI=1S/C43H82NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-38-48-40-42
(41-50-52(46,47)49-39-37-44(3,4)5)51-43(45)36-34-32-30-28-26-24-21-19-17-15-13-1
1-9-7-2/h19-22,35,38,42H,6-18,23-34,36-37,39-41H2,1-5H3/b21-19-,22-20-,38-35-/t4
2-/m1/s1
SMILES[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCC/C=C\CCCCCCC)=O)CO/C=C\CCCCCC/C
=C\CCCCCCCC
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)