In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP10019EHY
Common NamePA(26:0/26:0)
Systematic Name1-2-di-hexacosanoyl-sn-glycero-3-phosphate
SynonymsPA(52:0); PA(26:0/26:0)
Exact Mass
928.7860 (neutral)    Calculate m/z:
FormulaC55H109O8P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphates [GP10]
Sub ClassDiacylglycerophosphates [GP1001]
PubChem Compound ID (CID)-
InChIKeyJBYLZZHNRAGUDF-IONAWPRUSA-N
InChIInChI=1S/C55H109O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-4
3-45-47-49-54(56)61-51-53(52-62-64(58,59)60)63-55(57)50-48-46-44-42-40-38-36-34-
32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h53H,3-52H2,1-2H3,(H2,58,59,60)/t53-
/m1/s1
SMILES[C@](COP(=O)(O)O)([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCCCCCC
CCCC)=O
MS Spectra-      Predict MS/MS spectrum (Neg. mode)
StatusActive (generated by computational methods)