In-Silico Structure Database (LMISSD)
Common Name
PI(O-14:0/32:0)
Systematic Name
1-tetradecyl-2-dotriacontanoyl-sn-glycero-3-phosphoinositol
LM ID
LMGP06029ACD
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
992.765668
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositols [GP06]
1-alkyl,2-acylglycerophosphoinositols [GP0602]
String Representations
InChiKey (Click to copy)
CZRBWXSCGZYFPD-VAMSRPEZSA-N
InChi (Click to copy)
InChI=1S/C55H109O12P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-38-40-42-44-49(56)66-48(46-64-45-43-41-39-37-35-16-14-12-10-8-6-4-2)47-65-68(62,63)67-55-53(60)51(58)50(57)52(59)54(55)61/h48,50-55,57-61H,3-47H2,1-2H3,(H,62,63)/t48-,50?,51-,52?,53?,54?,55-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(O)C1O)COCCCCCCCCCCCCCC