In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP01029AAB
Common NamePC(O-14:0/11:0)
Systematic Name1-tetradecyl-2-undecanoyl-sn-glycero-3-phosphocholine
SynonymsPC(O-25:0); PC(O-14:0/11:0)
Exact Mass
621.4733 (neutral)    Calculate m/z:
FormulaC33H68NO7P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphocholines [GP01]
Sub Class1-alkyl,2-acylglycerophosphocholines [GP0102]
PubChem Compound ID (CID)-
InChIKeyVLZSLPDSEOVARN-JGCGQSQUSA-N
InChIInChI=1S/C33H68NO7P/c1-6-8-10-12-14-16-17-18-19-21-23-25-28-38-30-32(31-40-42(36
,37)39-29-27-34(3,4)5)41-33(35)26-24-22-20-15-13-11-9-7-2/h32H,6-31H2,1-5H3/t32-
/m1/s1
SMILES[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCCCCC)=O)COCCCCCCCCCCCCCC
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)