In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP05059ABJ
Common NameLPGP(20:4(5Z,8Z,10E,14Z)/0:0)
Systematic Name1-(5Z,8Z,10E,14Z-eicosatetraenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-
phosphate)
Synonyms-
Exact Mass
612.2465 (neutral)    Calculate m/z:
FormulaC26H46O12P2
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoglycerophosphates [GP05]
Sub ClassMonoacylglycerophosphoglycerophosphates [GP0505]
PubChem Compound ID (CID)-
InChIKeyQBAALIBATAXEOY-WFJAVUDOSA-N
InChIInChI=1S/C26H46O12P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(29)35-2
0-24(27)22-37-40(33,34)38-23-25(28)21-36-39(30,31)32/h6-7,10-13,15-16,24-25,27-2
8H,2-5,8-9,14,17-23H2,1H3,(H,33,34)(H2,30,31,32)/b7-6-,11-10+,13-12-,16-15-/t24-
,25+/m1/s1
SMILES[H][C@](O)(COP(O)(O)=O)COP(OC[C@]([H])(O)COC(CCC/C=CC/C=CC=CCC/C=CCCCCC)=O)(=O)O
MS Spectra-     
StatusActive (generated by computational methods)