In-Silico Structure Database (LMISSD)
Common Name
PIP3[3',4',5'](13:0/24:4(5Z,8Z,11Z,14Z))
Systematic Name
1-tridecanoyl-2-(5Z,8Z,11Z,14Z-tetracosatetraenoyl)-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09019AIY
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1112.440482
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
Diacylglycerophosphoinositol trisphosphates [GP0901]
String Representations
InChiKey (Click to copy)
WGIPOYIGJGUAOT-VORRLANGSA-N
InChi (Click to copy)
InChI=1S/C46H84O22P4/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-27-29-31-33-35-40(48)64-38(36-62-39(47)34-32-30-28-26-14-12-10-8-6-4-2)37-63-72(60,61)68-43-41(49)44(65-69(51,52)53)46(67-71(57,58)59)45(42(43)50)66-70(54,55)56/h17-18,20-21,23-24,27,29,38,41-46,49-50H,3-16,19,22,25-26,28,30-37H2,1-2H3,(H,60,61)(H2,51,52,53)(H2,54,55,56)(H2,57,58,59)/b18-17-,21-20-,24-23-,29-27-/t38-,41?,42?,43-,44+,45?,46?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC)=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(CCCCCCCCCCCC)=O