In-Silico Structure Database (LMISSD)
Common Name
PIP3[3',4',5'](16:1(9Z)/31:0)
Systematic Name
1-(9Z-hexadecenoyl)-2-hentriacontanoyl-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09019AZE
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1258.643932
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
Diacylglycerophosphoinositol trisphosphates [GP0901]
String Representations
InChiKey (Click to copy)
WEGZLUIPIATRBZ-VPIFJDDPSA-N
InChi (Click to copy)
InChI=1S/C56H110O22P4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-43-45-50(58)74-48(46-72-49(57)44-42-40-38-36-34-32-16-14-12-10-8-6-4-2)47-73-82(70,71)78-53-51(59)54(75-79(61,62)63)56(77-81(67,68)69)55(52(53)60)76-80(64,65)66/h14,16,48,51-56,59-60H,3-13,15,17-47H2,1-2H3,(H,70,71)(H2,61,62,63)(H2,64,65,66)(H2,67,68,69)/b16-14-/t48-,51?,52?,53-,54+,55?,56?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=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(CCCCCCC/C=C\CCCCCC)=O