In-Silico Structure Database (LMISSD)
Common Name
PIP[4'](20:5(5Z,8Z,11Z,14Z,17Z)/22:2(13Z,16Z))
Systematic Name
1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-2-(13Z,16Z-docosadienoyl)-sn-glycero-3-phosphoinositol-4-phosphate
LM ID
LMGP07019IUF
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1016.539116
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
CRZJWNZLIATIHZ-QGQJSTBMSA-N
InChi (Click to copy)
InChI=1S/C51H86O16P2/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(53)65-43(42-64-69(61,62)67-51-48(56)46(54)50(47(55)49(51)57)66-68(58,59)60)41-63-44(52)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,25,27,31,33,43,46-51,54-57H,3-5,7,9-10,15-16,21-24,26,28-30,32,34-42H2,1-2H3,(H,61,62)(H2,58,59,60)/b8-6-,13-11-,14-12-,19-17-,20-18-,27-25-,33-31-/t43-,46+,47?,48?,49?,50?,51-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCC/C=C\C/C=C\CCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(OP(=O)(O)O)C(O)C1O)COC(CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O