In-Silico Structure Database (LMISSD)
Common Name
PIP2[4',5'](20:4(7E,10E,13E,16E)/16:0)
Systematic Name
1-(7E,10E,13E,16E-eicosatetraenoyl)-2-hexadecanoyl-sn-glycero-3-phosphoinositol-4,5-bisphosphate
LM ID
LMGP08019N17
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1018.458499
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
GJDSZFUDNVNFNG-MEUXRYMZSA-N
InChi (Click to copy)
InChI=1S/C45H81O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h7,9,13,15,18-19,22-23,37,40-45,48-50H,3-6,8,10-12,14,16-17,20-21,24-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b9-7+,15-13+,19-18+,23-22+/t37-,40?,41+,42?,43-,44?,45?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCC)=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/CCC)=O