In-Silico Structure Database (LMISSD)
Common Name
PIP3[3',4',5'](20:4(5Z,8Z,11Z,13E)/20:1(11E))
Systematic Name
1-(5Z,8Z,11Z,13E-eicosatetraenoyl)-2-(11E-eicosenoyl)-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09019C9C
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1152.471782
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
Diacylglycerophosphoinositol trisphosphates [GP0901]
String Representations
InChiKey (Click to copy)
QQPORGAQFKSWRI-DIOFQXOYSA-N
InChi (Click to copy)
InChI=1S/C49H88O22P4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(50)65-39-41(67-43(51)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)40-66-75(63,64)71-46-44(52)47(68-72(54,55)56)49(70-74(60,61)62)48(45(46)53)69-73(57,58)59/h13,15,17-20,23,25,29,31,41,44-49,52-53H,3-12,14,16,21-22,24,26-28,30,32-40H2,1-2H3,(H,63,64)(H2,54,55,56)(H2,57,58,59)(H2,60,61,62)/b15-13+,19-17-,20-18+,25-23-,31-29-/t41-,44?,45?,46-,47+,48?,49?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCC/C=C/CCCCCCCC)=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(CCC/C=C\C/C=C\C/C=C\C=C\CCCCCC)=O