In-Silico Structure Database (LMISSD)
Common Name
PIP3[3',4',5'](16:1(7Z)/22:1(13Z))
Systematic Name
1-(7Z-hexadecenoyl)-2-(13Z-docosenoyl)-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09019AWI
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1130.487432
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
Diacylglycerophosphoinositol trisphosphates [GP0901]
String Representations
InChiKey (Click to copy)
BOTFENBXCQVBNJ-XJQMGEGESA-N
InChi (Click to copy)
InChI=1S/C47H90O22P4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(49)65-39(37-63-40(48)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)38-64-73(61,62)69-44-42(50)45(66-70(52,53)54)47(68-72(58,59)60)46(43(44)51)67-71(55,56)57/h17-18,23,25,39,42-47,50-51H,3-16,19-22,24,26-38H2,1-2H3,(H,61,62)(H2,52,53,54)(H2,55,56,57)(H2,58,59,60)/b18-17-,25-23-/t39-,42?,43?,44-,45+,46?,47?/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(CCCCC/C=C\CCCCCCCC)=O