In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP05059AA6
Common NameLPGP(18:4(6Z,9Z,12Z,15Z)/0:0)
Systematic Name1-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-
phosphate)
Synonyms-
Exact Mass
584.2152 (neutral)    Calculate m/z:
FormulaC24H42O12P2
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoglycerophosphates [GP05]
Sub ClassMonoacylglycerophosphoglycerophosphates [GP0505]
PubChem Compound ID (CID)-
InChIKeyBYFLKQIGBSUGJH-GNCSDHDISA-N
InChIInChI=1S/C24H42O12P2/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/h3-4,6-7,9-10,12-13,22-23,25-26H,
2,5,8,11,14-21H2,1H3,(H,31,32)(H2,28,29,30)/b4-3-,7-6-,10-9-,13-12-/t22-,23+/m1/
s1
SMILES[H][C@](O)(COP(O)(O)=O)COP(OC[C@]([H])(O)COC(CCCC/C=CC/C=CC/C=CC/C=CCC)=O)(=O)O
MS Spectra-     
StatusActive (generated by computational methods)