In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP06059AAY
Common NameLPI(18:2(2E,4E)/0:0)
Systematic Name1-(2E,4E-octadecadienoyl)-sn-glycero-3-phosphoinositol
Synonyms-
Exact Mass
596.2962 (neutral)    Calculate m/z:
FormulaC27H49O12P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositols [GP06]
Sub ClassMonoacylglycerophosphoinositols [GP0605]
PubChem Compound ID (CID)-
InChIKeyJRYAXPBHUDQASY-BPUZAZEDSA-N
InChIInChI=1S/C27H49O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(29)37-18-20(28
)19-38-40(35,36)39-27-25(33)23(31)22(30)24(32)26(27)34/h14-17,20,22-28,30-34H,2-
13,18-19H2,1H3,(H,35,36)/b15-14+,17-16+/t20-,22?,23-,24?,25?,26?,27-/m1/s1
SMILES[C@]([H])(O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COC(/C=C/C=C/CCCCCCCCCCCC
C)=O
MS Spectra-     
StatusActive (generated by computational methods)