In-Silico Structure Database (LMISSD)
Common Name
PIP2[4',5'](22:5(7Z,10Z,13Z,16Z,19Z)/12:0)
Systematic Name
1-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-2-dodecanoyl-sn-glycero-3-phosphoinositol-4,5-bisphosphate
LM ID
LMGP08019OKH
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
988.411549
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
CVKRFQNPEKSMMN-IPMSGBKDSA-N
InChi (Click to copy)
InChI=1S/C43H75O19P3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-25-27-29-31-36(44)57-33-35(59-37(45)32-30-28-26-23-12-10-8-6-4-2)34-58-65(55,56)62-41-38(46)39(47)42(60-63(49,50)51)43(40(41)48)61-64(52,53)54/h5,7,11,13,15-16,18-19,21-22,35,38-43,46-48H,3-4,6,8-10,12,14,17,20,23-34H2,1-2H3,(H,55,56)(H2,49,50,51)(H2,52,53,54)/b7-5-,13-11-,16-15-,19-18-,22-21-/t35-,38?,39+,40?,41-,42?,43?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)COC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O