In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP10059AD1
Common NameLPA(0:0/22:0)
Systematic Name2-docosanoyl-sn-glycero-3-phosphate
Synonyms-
Exact Mass
494.3372 (neutral)    Calculate m/z:
FormulaC25H51O7P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphates [GP10]
Sub ClassMonoacylglycerophosphates [GP1005]
PubChem Compound ID (CID)-
InChIKeyHOXQBWKHENFRRC-XMMPIXPASA-N
InChIInChI=1S/C25H51O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(27)
32-24(22-26)23-31-33(28,29)30/h24,26H,2-23H2,1H3,(H2,28,29,30)/t24-/m1/s1
SMILES[C@](COP(=O)(O)O)([H])(OC(CCCCCCCCCCCCCCCCCCCCC)=O)CO
MS Spectra-     
StatusActive (generated by computational methods)