In-Silico Structure Database (LMISSD)
Common Name
PIP2[4',5'](14:1(9Z)/18:2(9E,12E))
Systematic Name
1-(9Z-tetradecenoyl)-2-(9E,12E-octadecadienoyl)-sn-glycero-3-phosphoinositol-4,5-bisphosphate
LM ID
LMGP08019K9A
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
964.411549
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
PECLGJHDQXOXFH-LGTXBGTGSA-N
InChi (Click to copy)
InChI=1S/C41H75O19P3/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-35(43)57-33(31-55-34(42)29-27-25-23-21-19-14-12-10-8-6-4-2)32-56-63(53,54)60-39-36(44)37(45)40(58-61(47,48)49)41(38(39)46)59-62(50,51)52/h10-13,16-17,33,36-41,44-46H,3-9,14-15,18-32H2,1-2H3,(H,53,54)(H2,47,48,49)(H2,50,51,52)/b12-10-,13-11+,17-16+/t33-,36?,37+,38?,39-,40?,41?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC/C=C/C/C=C/CCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)COC(CCCCCCC/C=C\CCCC)=O