In-Silico Structure Database (LMISSD)
Common Name
LPI(18:3(6Z,9Z,12Z)/0:0)
Systematic Name
1-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3-phosphoinositol
LM ID
LMGP06059AA4
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
594.280518
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositols [GP06]
Monoacylglycerophosphoinositols [GP0605]
String Representations
InChiKey (Click to copy)
LLHYFNVRZDNGJG-CPGAUMDZSA-N
InChi (Click to copy)
InChI=1S/C27H47O12P/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/h6-7,9-10,12-13,20,22-28,30-34H,2-5,8,11,14-19H2,1H3,(H,35,36)/b7-6-,10-9-,13-12-/t20-,22?,23-,24?,25?,26?,27-/m1/s1
SMILES (Click to copy)
[C@]([H])(O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COC(CCCC/C=CC/C=CC/C=CCCCCC)=O