In-Silico Structure Database (LMISSD)
Common Name
LPIP3[3',4',5'](36:0/0:0)
Systematic Name
1-hexatriacontanoyl-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09049ACH
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1092.508167
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
Monoacylglycerophosphoinositol trisphosphates [GP0904]
String Representations
InChiKey (Click to copy)
HAXPFEGEMLHQQF-CGDDZRASSA-N
InChi (Click to copy)
InChI=1S/C45H92O21P4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-39(47)61-36-38(46)37-62-70(59,60)66-42-40(48)43(63-67(50,51)52)45(65-69(56,57)58)44(41(42)49)64-68(53,54)55/h38,40-46,48-49H,2-37H2,1H3,(H,59,60)(H2,50,51,52)(H2,53,54,55)(H2,56,57,58)/t38-,40?,41?,42-,43+,44?,45?/m1/s1
SMILES (Click to copy)
[C@]([H])(O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O