In-Silico Structure Database (LMISSD)
Common Name
LPIP3[3',4',5'](39:0/0:0)
Systematic Name
1-nonatriacontanoyl-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09049ACK
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1134.555117
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
Monoacylglycerophosphoinositol trisphosphates [GP0904]
String Representations
InChiKey (Click to copy)
DOFSQOPSLQDROF-ARPCMVACSA-N
InChi (Click to copy)
InChI=1S/C48H98O21P4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-42(50)64-39-41(49)40-65-73(62,63)69-45-43(51)46(66-70(53,54)55)48(68-72(59,60)61)47(44(45)52)67-71(56,57)58/h41,43-49,51-52H,2-40H2,1H3,(H,62,63)(H2,53,54,55)(H2,56,57,58)(H2,59,60,61)/t41-,43?,44?,45-,46+,47?,48?/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(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O