In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP05059AAR
Common NameLPGP(18:1(13Z)/0:0)
Systematic Name1-(13Z-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)
Synonyms-
Exact Mass
590.2621 (neutral)    Calculate m/z:
FormulaC24H48O12P2
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoglycerophosphates [GP05]
Sub ClassMonoacylglycerophosphoglycerophosphates [GP0505]
PubChem Compound ID (CID)-
InChIKeyVBEJGSFHVNIZAS-SJTVWEQVSA-N
InChIInChI=1S/C24H48O12P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(27)33-18-22(2
5)20-35-38(31,32)36-21-23(26)19-34-37(28,29)30/h5-6,22-23,25-26H,2-4,7-21H2,1H3,
(H,31,32)(H2,28,29,30)/b6-5-/t22-,23+/m1/s1
SMILES[H][C@](O)(COP(O)(O)=O)COP(OC[C@]([H])(O)COC(CCCCCCCCCCC/C=CCCCC)=O)(=O)O
MS Spectra-     
StatusActive (generated by computational methods)