In-Silico Structure Database (LMISSD)
Common Name
PI(O-18:1(9Z)/13:0)
Systematic Name
1-(9Z-octadecenyl)-2-tridecanoyl-sn-glycero-3-phosphoinositol
LM ID
LMGP06029AQI
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
780.515268
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositols [GP06]
1-alkyl,2-acylglycerophosphoinositols [GP0602]
String Representations
InChiKey (Click to copy)
BUESUTSAVBXLRO-LPLXNUDUSA-N
InChi (Click to copy)
InChI=1S/C40H77O12P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-49-31-33(51-34(41)29-27-25-23-21-14-12-10-8-6-4-2)32-50-53(47,48)52-40-38(45)36(43)35(42)37(44)39(40)46/h16-17,33,35-40,42-46H,3-15,18-32H2,1-2H3,(H,47,48)/b17-16-/t33-,35?,36-,37?,38?,39?,40-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COCCCCCCCC/C=C\CCCCCCCC