In-Silico Structure database (LMISSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMGP07059AAN
Common NameLPIP[3'](17:2(9Z,12Z)/0:0)
Systematic Name1-(9Z,12Z-heptadecadienoyl)-sn-glycero-3-phosphoinositol-3-phosphate
Synonyms-
Exact Mass
662.2469 (neutral)    Calculate m/z:
FormulaC26H48O15P2
CategoryGlycerophospholipids [GP]
Main ClassGlycerophosphoinositol monophosphates [GP07]
Sub ClassMonoacylglycerophosphoinositol monophosphates [GP0705]
PubChem Compound ID (CID)-
InChIKeyHMRFAUNTWNITOS-FKSSUCOASA-N
InChIInChI=1S/C26H48O15P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(28)38-17-19(27)1
8-39-43(36,37)41-26-23(31)21(29)22(30)25(24(26)32)40-42(33,34)35/h5-6,8-9,19,21-
27,29-32H,2-4,7,10-18H2,1H3,(H,36,37)(H2,33,34,35)/b6-5-,9-8-/t19-,21?,22?,23?,2
4?,25-,26+/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
/C=CCCCC)=O
MS Spectra-     
StatusActive (generated by computational methods)