In-Silico Structure Database (LMISSD)
Common Name
LPI(0:0/22:6(4Z,7Z,10Z,12E,16Z,19Z))
Systematic Name
2-(4Z,7Z,10Z,12E,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoinositol
LM ID
LMGP06059AD7
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
644.296168
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositols [GP06]
Monoacylglycerophosphoinositols [GP0605]
String Representations
InChiKey (Click to copy)
QSBDGAQLRLFISU-BRLMWFSBSA-N
InChi (Click to copy)
InChI=1S/C31H49O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(33)42-24(22-32)23-41-44(39,40)43-31-29(37)27(35)26(34)28(36)30(31)38/h3-4,6-7,10-13,15-16,18-19,24,26-32,34-38H,2,5,8-9,14,17,20-23H2,1H3,(H,39,40)/b4-3-,7-6-,11-10+,13-12-,16-15-,19-18-/t24-,26?,27-,28?,29?,30?,31-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CC/C=CC/C=CC/C=CC=CCC/C=CC/C=CCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)CO