In-Silico Structure Database (LMISSD)
Common Name
LPIP3[3',4',5'](38:0/0:0)
Systematic Name
1-octatriacontanoyl-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09049ACJ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1120.539467
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
Monoacylglycerophosphoinositol trisphosphates [GP0904]
String Representations
InChiKey (Click to copy)
LLQMQOYPQOQAAN-TUTIEULDSA-N
InChi (Click to copy)
InChI=1S/C47H96O21P4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-41(49)63-38-40(48)39-64-72(61,62)68-44-42(50)45(65-69(52,53)54)47(67-71(58,59)60)46(43(44)51)66-70(55,56)57/h40,42-48,50-51H,2-39H2,1H3,(H,61,62)(H2,52,53,54)(H2,55,56,57)(H2,58,59,60)/t40-,42?,43?,44-,45+,46?,47?/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(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O