In-Silico Structure Database (LMISSD)
Common Name
PIP2[4',5'](20:1(11E)/18:4(9E,11E,13E,15E))
Systematic Name
1-(11E-eicosenoyl)-2-(9E,11E,13E,15E-octadecatetraenoyl)-sn-glycero-3-phosphoinositol-4,5-bisphosphate
LM ID
LMGP08019M8X
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1044.474149
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
ZKHZNWZKMIRWET-IPELMRAESA-N
InChi (Click to copy)
InChI=1S/C47H83O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)61-37-39(63-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h6,8,10,12,14,16-19,21,39,42-47,50-52H,3-5,7,9,11,13,15,20,22-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b8-6+,12-10+,16-14+,19-17+,21-18+/t39-,42?,43+,44?,45-,46?,47?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC/C=C/C=C/C=C/C=C/CC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)COC(CCCCCCCCC/C=C/CCCCCCCC)=O