In-Silico Structure Database (LMISSD)
Common Name
PIP[3'](24:1(15Z)/18:1(17Z))
Systematic Name
1-(15Z-tetracosenoyl)-2-(13Z-octadecenoyl)-sn-glycero-3-phosphoinositol-3-phosphate
LM ID
LMGP07019D9Q
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1026.617366
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
XJDFUAQXZLNRIX-GREHCLGYSA-N
InChi (Click to copy)
InChI=1S/C51H96O16P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-27-29-31-33-35-37-39-44(52)63-41-43(65-45(53)40-38-36-34-32-30-28-25-18-16-14-12-10-8-6-4-2)42-64-69(61,62)67-51-48(56)46(54)47(55)50(49(51)57)66-68(58,59)60/h4,17,19,43,46-51,54-57H,2-3,5-16,18,20-42H2,1H3,(H,61,62)(H2,58,59,60)/b19-17-/t43-,46?,47?,48?,49?,50-,51+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCC=C)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(O)C1O)COC(CCCCCCCCCCCCC/C=C\CCCCCCCC)=O