In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP07059AA8
Common NameLPIP[3'](19:0/0:0)
Systematic Name1-nonadecanoyl-sn-glycero-3-phosphoinositol-3-phosphate
Synonyms-
Exact Mass
694.3095 (neutral)    Calculate m/z:
FormulaC28H56O15P2
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositol monophosphates [GP07]
Sub ClassMonoacylglycerophosphoinositol monophosphates [GP0705]
PubChem Compound ID (CID)-
InChIKeyFQKKVSNBLOGAAY-FHZYVPKHSA-N
InChIInChI=1S/C28H56O15P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(30)40-19-2
1(29)20-41-45(38,39)43-28-25(33)23(31)24(32)27(26(28)34)42-44(35,36)37/h21,23-29
,31-34H,2-20H2,1H3,(H,38,39)(H2,35,36,37)/t21-,23?,24?,25?,26?,27-,28+/m1/s1
SMILES[C@]([H])(O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(O)C1O)COC(CCCCCCCCCCCC
CCCCCC)=O
MS Spectra-     
StatusActive (generated by computational methods)