In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',5'](20:4(7E,10E,13E,16E)/12:0)
Systematic Name
1-(7E,10E,13E,16E-eicosatetraenoyl)-2-dodecanoyl-sn-glycero-3-phosphoinositol-3,5-bisphosphate
LM ID
LMGP08019IQO
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
962.395899
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
XEEAIELRCQXNAF-BBIDTZTASA-N
InChi (Click to copy)
InChI=1S/C41H73O19P3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-23-25-27-29-34(42)55-31-33(57-35(43)30-28-26-24-21-12-10-8-6-4-2)32-56-63(53,54)60-41-37(45)39(58-61(47,48)49)36(44)40(38(41)46)59-62(50,51)52/h7,9,13-14,16-17,19-20,33,36-41,44-46H,3-6,8,10-12,15,18,21-32H2,1-2H3,(H,53,54)(H2,47,48,49)(H2,50,51,52)/b9-7+,14-13+,17-16+,20-19+/t33-,36?,37?,38?,39-,40?,41-/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(O)C(OP(=O)(O)O)C1O)COC(CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)=O