In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP06059ABN
Common NameLPI(20:4(7E,10E,13E,16E)/0:0)
Systematic Name1-(7E,10E,13E,16E-eicosatetraenoyl)-sn-glycero-3-phosphoinositol
Synonyms-
Exact Mass
620.2962 (neutral)    Calculate m/z:
FormulaC29H49O12P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositols [GP06]
Sub ClassMonoacylglycerophosphoinositols [GP0605]
PubChem Compound ID (CID)-
InChIKeyLEFIMLPDXTYZFR-REKBAHINSA-N
InChIInChI=1S/C29H49O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(31)39-20
-22(30)21-40-42(37,38)41-29-27(35)25(33)24(32)26(34)28(29)36/h4-5,7-8,10-11,13-1
4,22,24-30,32-36H,2-3,6,9,12,15-21H2,1H3,(H,37,38)/b5-4+,8-7+,11-10+,14-13+/t22-
,24?,25-,26?,27?,28?,29-/m1/s1
SMILES[C@]([H])(O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COC(CCCCC/C=C/C/C=C/C/C=C
/C/C=C/CCC)=O
MS Spectra-     
StatusActive (generated by computational methods)