In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP06059AA7
Common NameLPI(18:4(9E,11E,13E,15E)/0:0)
Systematic Name1-(9E,11E,13E,15E-octadecatetraenoyl)-sn-glycero-3-phosphoinositol
Synonyms-
Exact Mass
592.2649 (neutral)    Calculate m/z:
FormulaC27H45O12P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositols [GP06]
Sub ClassMonoacylglycerophosphoinositols [GP0605]
PubChem Compound ID (CID)-
InChIKeyYXFJTOSSNFSRKY-GRDDNNMRSA-N
InChIInChI=1S/C27H45O12P/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/h3-10,20,22-28,30-34H,2,1
1-19H2,1H3,(H,35,36)/b4-3+,6-5+,8-7+,10-9+/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(CCCCCCC/C=C/C=C/C=C/C
=C/CC)=O
MS Spectra-     
StatusActive (generated by computational methods)