In-Silico Structure Database (LMISSD)
Common Name
PIP3[3',4',5'](16:1(7Z)/28:0)
Systematic Name
1-(7Z-hexadecenoyl)-2-octacosanoyl-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09019AW0
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1216.596982
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
Diacylglycerophosphoinositol trisphosphates [GP0901]
String Representations
InChiKey (Click to copy)
DQCOPWZBGXAUGH-IYKUKXDSSA-N
InChi (Click to copy)
InChI=1S/C53H104O22P4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-47(55)71-45(43-69-46(54)41-39-37-35-33-31-29-16-14-12-10-8-6-4-2)44-70-79(67,68)75-50-48(56)51(72-76(58,59)60)53(74-78(64,65)66)52(49(50)57)73-77(61,62)63/h29,31,45,48-53,56-57H,3-28,30,32-44H2,1-2H3,(H,67,68)(H2,58,59,60)(H2,61,62,63)(H2,64,65,66)/b31-29-/t45-,48?,49?,50-,51+,52?,53?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCC)=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(CCCCC/C=C\CCCCCCCC)=O