In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP04069AAO
Common NameLPG(O-22:1(9Z)/0:0)
Systematic Name1-(9Z-docosenyl)-sn-glycero-3-phospho-(1'-sn-glycerol)
Synonyms-
Exact Mass
552.3791 (neutral)    Calculate m/z:
FormulaC28H57O8P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoglycerols [GP04]
Sub ClassMonoalkylglycerophosphoglycerols [GP0406]
PubChem Compound ID (CID)-
InChIKeyGEWGHLGANMVVAN-VIOIWAGUSA-N
InChIInChI=1S/C28H57O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-34-
24-28(31)26-36-37(32,33)35-25-27(30)23-29/h13-14,27-31H,2-12,15-26H2,1H3,(H,32,3
3)/b14-13-/t27-,28+/m0/s1
SMILES[C@]([H])(O)(COP(=O)(O)OC[C@@]([H])(O)CO)COCCCCCCCC/C=CCCCCCCCCCCCC
MS Spectra-     
StatusActive (generated by computational methods)