In-Silico Structure Database (LMISSD)
Common Name
PIP2[4',5'](16:0/16:1(7Z))
Systematic Name
1-hexadecanoyl-2-(7Z-hexadecenoyl)-sn-glycero-3-phosphoinositol-4,5-bisphosphate
LM ID
LMGP08019LFP
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
968.442849
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
ONPAFVYJVFXJRS-GBRSXVNKSA-N
InChi (Click to copy)
InChI=1S/C41H79O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)55-31-33(57-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)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/h18,20,33,36-41,44-46H,3-17,19,21-32H2,1-2H3,(H,53,54)(H2,47,48,49)(H2,50,51,52)/b20-18-/t33-,36?,37+,38?,39-,40?,41?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCC/C=C\CCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)COC(CCCCCCCCCCCCCCC)=O