In-Silico Structure Database (LMISSD)
Common Name
PI(O-14:0/18:0)
Systematic Name
1-tetradecyl-2-octadecanoyl-sn-glycero-3-phosphoinositol
LM ID
LMGP06029AAO
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
796.546568
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositols [GP06]
1-alkyl,2-acylglycerophosphoinositols [GP0602]
String Representations
InChiKey (Click to copy)
QZJMYCZGLMHRGJ-VDOCXDGISA-N
InChi (Click to copy)
InChI=1S/C41H81O12P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-35(42)52-34(32-50-31-29-27-25-23-21-16-14-12-10-8-6-4-2)33-51-54(48,49)53-41-39(46)37(44)36(43)38(45)40(41)47/h34,36-41,43-47H,3-33H2,1-2H3,(H,48,49)/t34-,36?,37-,38?,39?,40?,41-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COCCCCCCCCCCCCCC