In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP07059AAH
Common NameLPIP[3'](15:1(9Z)/0:0)
Systematic Name1-(9Z-pentadecenoyl)-sn-glycero-3-phosphoinositol-3-phosphate
Synonyms-
Exact Mass
636.2312 (neutral)    Calculate m/z:
FormulaC24H46O15P2
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositol monophosphates [GP07]
Sub ClassMonoacylglycerophosphoinositol monophosphates [GP0705]
PubChem Compound ID (CID)-
InChIKeyLAAOALRAUGWZCC-BVHZLIDASA-N
InChIInChI=1S/C24H46O15P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(26)36-15-17(25)16-37-4
1(34,35)39-24-21(29)19(27)20(28)23(22(24)30)38-40(31,32)33/h6-7,17,19-25,27-30H,
2-5,8-16H2,1H3,(H,34,35)(H2,31,32,33)/b7-6-/t17-,19?,20?,21?,22?,23-,24+/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(CCCCCCC/C=CC
CCCC)=O
MS Spectra-     
StatusActive (generated by computational methods)