In-Silico Structure Database (LMISSD)
Common Name
PIP3[3',4',5'](16:1(7Z)/33:0)
Systematic Name
1-(7Z-hexadecenoyl)-2-tritriacontanoyl-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09019AW5
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1286.675232
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
Diacylglycerophosphoinositol trisphosphates [GP0901]
String Representations
InChiKey (Click to copy)
NIXOCHKAUPOHRI-ZZBYSVIESA-N
InChi (Click to copy)
InChI=1S/C58H114O22P4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-35-37-39-41-43-45-47-52(60)76-50(48-74-51(59)46-44-42-40-38-36-34-16-14-12-10-8-6-4-2)49-75-84(72,73)80-55-53(61)56(77-81(63,64)65)58(79-83(69,70)71)57(54(55)62)78-82(66,67)68/h34,36,50,53-58,61-62H,3-33,35,37-49H2,1-2H3,(H,72,73)(H2,63,64,65)(H2,66,67,68)(H2,69,70,71)/b36-34-/t50-,53?,54?,55-,56+,57?,58?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=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