In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP06059AAK
Common NameLPI(16:1(9Z)/0:0)
Systematic Name1-(9Z-hexadecenoyl)-sn-glycero-3-phosphoinositol
Synonyms-
Exact Mass
570.2805 (neutral)    Calculate m/z:
FormulaC25H47O12P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositols [GP06]
Sub ClassMonoacylglycerophosphoinositols [GP0605]
PubChem Compound ID (CID)-
InChIKeyVPFGUPHJCAHVJV-IESOKFLNSA-N
InChIInChI=1S/C25H47O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(27)35-16-18(26)17-36
-38(33,34)37-25-23(31)21(29)20(28)22(30)24(25)32/h7-8,18,20-26,28-32H,2-6,9-17H2
,1H3,(H,33,34)/b8-7-/t18-,20?,21-,22?,23?,24?,25-/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=CCCCCCC)=O
MS Spectra-     
StatusActive (generated by computational methods)