In-Silico Structure Database (LMISSD)
Common Name
PIP3[3',4',5'](17:2(9Z,12Z)/22:1(13Z))
Systematic Name
1-(9Z,12Z-heptadecadienoyl)-2-(13Z-docosenoyl)-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09019A5Q
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1142.487432
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
Diacylglycerophosphoinositol trisphosphates [GP0901]
String Representations
InChiKey (Click to copy)
OLJBAGMSWNQHCA-YGODWTLISA-N
InChi (Click to copy)
InChI=1S/C48H90O22P4/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-42(50)66-40(38-64-41(49)36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2)39-65-74(62,63)70-45-43(51)46(67-71(53,54)55)48(69-73(59,60)61)47(44(45)52)68-72(56,57)58/h10,12,16-19,40,43-48,51-52H,3-9,11,13-15,20-39H2,1-2H3,(H,62,63)(H2,53,54,55)(H2,56,57,58)(H2,59,60,61)/b12-10-,18-16-,19-17-/t40-,43?,44?,45-,46+,47?,48?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCC/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(CCCCCCC/C=C\C/C=C\CCCC)=O