In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP06059AAX
Common NameLPI(18:1(9Z)/0:0)
Systematic Name1-(9Z-octadecenoyl)-sn-glycero-3-phosphoinositol
Synonyms-
Exact Mass
598.3118 (neutral)    Calculate m/z:
FormulaC27H51O12P
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositols [GP06]
Sub ClassMonoacylglycerophosphoinositols [GP0605]
PubChem Compound ID (CID)-
InChIKeyUGDOFRYHDCDVHD-UCYWEKOQSA-N
InChIInChI=1S/C27H51O12P/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/h9-10,20,22-28,30-34H,2-8
,11-19H2,1H3,(H,35,36)/b10-9-/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=CCCCCCCCC)=
O
MS Spectra-     
StatusActive (generated by computational methods)