In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',4'](22:1(13Z)/12:0)
Systematic Name
1-(13Z-docosenoyl)-2-dodecanoyl-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08019DOJ
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
996.474149
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
WHRJAZOJJRRNJU-PVJWTSBOSA-N
InChi (Click to copy)
InChI=1S/C43H83O19P3/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/h15-16,35,38-43,46-48H,3-14,17-34H2,1-2H3,(H,55,56)(H2,49,50,51)(H2,52,53,54)/b16-15-/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](OP(O)(=O)O)C(OP(=O)(O)O)C(O)C1O)COC(CCCCCCCCCCC/C=C\CCCCCCCC)=O