In-Silico Structure Database (LMISSD)
Common Name
LPI(0:0/18:2(9E,12E))
Systematic Name
2-(9E,12E-octadecadienoyl)-sn-glycero-3-phosphoinositol
LM ID
LMGP06059ADC
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
596.296168
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositols [GP06]
Monoacylglycerophosphoinositols [GP0605]
String Representations
InChiKey (Click to copy)
OHTOXJNWYDOUDF-UBFVGLRDSA-N
InChi (Click to copy)
InChI=1S/C27H49O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(29)38-20(18-28)19-37-40(35,36)39-27-25(33)23(31)22(30)24(32)26(27)34/h6-7,9-10,20,22-28,30-34H,2-5,8,11-19H2,1H3,(H,35,36)/b7-6+,10-9+/t20-,22?,23-,24?,25?,26?,27-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC/C=C/C/C=C/CCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)CO