In-Silico Structure Database (LMISSD)
Common Name
LPIP3[3',4',5'](31:0/0:0)
Systematic Name
1-hentriacontanoyl-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09049ACC
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1022.429917
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
Monoacylglycerophosphoinositol trisphosphates [GP0904]
String Representations
InChiKey (Click to copy)
KVWLAMCVQWVASL-SFXHFWLWSA-N
InChi (Click to copy)
InChI=1S/C40H82O21P4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-34(42)56-31-33(41)32-57-65(54,55)61-37-35(43)38(58-62(45,46)47)40(60-64(51,52)53)39(36(37)44)59-63(48,49)50/h33,35-41,43-44H,2-32H2,1H3,(H,54,55)(H2,45,46,47)(H2,48,49,50)(H2,51,52,53)/t33-,35?,36?,37-,38+,39?,40?/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(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O