In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP01019AAS
Common NamePC(10:0/18:1(17Z))
Systematic Name1-decanoyl-2-(13Z-octadecenoyl)-sn-glycero-3-phosphocholine
SynonymsPC(28:1); PC(10:0_18:1)
Exact Mass
675.4839 (neutral)    Calculate m/z:
FormulaC36H70NO8P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphocholines [GP01]
Sub ClassDiacylglycerophosphocholines [GP0101]
PubChem Compound ID (CID)-
InChIKeyVEPGTHNWOJFVHJ-UUWRZZSWSA-N
InChIInChI=1S/C36H70NO8P/c1-6-8-10-12-14-15-16-17-18-19-20-21-23-25-27-29-36(39)45-34
(33-44-46(40,41)43-31-30-37(3,4)5)32-42-35(38)28-26-24-22-13-11-9-7-2/h6,34H,1,7
-33H2,2-5H3/t34-/m1/s1
SMILES[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCCCCCCCCCCC=C)=O)COC(CCCCCCCCC)=O
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)