In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP01019AAF
Common NamePC(10:0/14:1(9Z))
Systematic Name1-decanoyl-2-(9Z-tetradecenoyl)-sn-glycero-3-phosphocholine
SynonymsPC(24:1); PC(10:0_14:1)
Exact Mass
619.4213 (neutral)    Calculate m/z:
FormulaC32H62NO8P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphocholines [GP01]
Sub ClassDiacylglycerophosphocholines [GP0101]
PubChem Compound ID (CID)-
InChIKeyBJAUEVLAIJBLLG-MLEMMBRKSA-N
InChIInChI=1S/C32H62NO8P/c1-6-8-10-12-14-15-16-17-19-21-23-25-32(35)41-30(29-40-42(36
,37)39-27-26-33(3,4)5)28-38-31(34)24-22-20-18-13-11-9-7-2/h12,14,30H,6-11,13,15-
29H2,1-5H3/b14-12-/t30-/m1/s1
SMILES[C@](COP(=O)([O-])OCC[N+](C)(C)C)([H])(OC(CCCCCCC/C=C\CCCC)=O)COC(CCCCCCCCC)=O
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)