In-Silico Structure Database (LMISSD)
Common Name
PIP3[3',4',5'](17:1(9Z)/25:0)
Systematic Name
1-(9Z-heptadecenoyl)-2-pentacosanoyl-sn-glycero-3-phosphoinositol-3,4,5-trisphosphate
LM ID
LMGP09019A3Q
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1188.565682
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol trisphosphates [GP09]
Diacylglycerophosphoinositol trisphosphates [GP0901]
String Representations
InChiKey (Click to copy)
PVUAOFGVBKYVBT-DWNSDKRWSA-N
InChi (Click to copy)
InChI=1S/C51H100O22P4/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-45(53)69-43(41-67-44(52)39-37-35-33-31-29-27-18-16-14-12-10-8-6-4-2)42-68-77(65,66)73-48-46(54)49(70-74(56,57)58)51(72-76(62,63)64)50(47(48)55)71-75(59,60)61/h16,18,43,46-51,54-55H,3-15,17,19-42H2,1-2H3,(H,65,66)(H2,56,57,58)(H2,59,60,61)(H2,62,63,64)/b18-16-/t43-,46?,47?,48-,49+,50?,51?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCC)=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\CCCCCCC)=O