In-Silico Structure Database (LMISSD)
Common Name
PIP[5'](14:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Systematic Name
1-(9Z-tetradecenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoinositol-5-phosphate
LM ID
LMGP07019K96
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
932.445216
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
USSGPRKKNPVFQQ-YQUZXASPSA-N
InChi (Click to copy)
InChI=1S/C45H74O16P2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-24-26-28-30-32-34-39(47)59-37(35-57-38(46)33-31-29-27-25-23-14-12-10-8-6-4-2)36-58-63(55,56)61-45-42(50)40(48)41(49)44(43(45)51)60-62(52,53)54/h5,7,10-13,16-17,19-20,22,24,28,30,37,40-45,48-51H,3-4,6,8-9,14-15,18,21,23,25-27,29,31-36H2,1-2H3,(H,55,56)(H2,52,53,54)/b7-5-,12-10-,13-11-,17-16-,20-19-,24-22-,30-28-/t37-,40-,41?,42?,43?,44?,45-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(OP(=O)(O)O)C1O)COC(CCCCCCC/C=C\CCCC)=O