In-Silico Structure Database (LMISSD)
Common Name
PIP2[4',5'](20:4(5Z,8Z,11Z,13E)/17:2(9Z,12Z))
Systematic Name
1-(5Z,8Z,11Z,13E-eicosatetraenoyl)-2-(9Z,12Z-heptadecadienoyl)-sn-glycero-3-phosphoinositol-4,5-bisphosphate
LM ID
LMGP08019NVF
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1028.442849
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
QKBALTIUPYBATD-BAFKZGHDSA-N
InChi (Click to copy)
InChI=1S/C46H79O19P3/c1-3-5-7-9-11-13-15-17-19-20-21-23-24-26-28-30-32-34-39(47)60-36-38(62-40(48)35-33-31-29-27-25-22-18-16-14-12-10-8-6-4-2)37-61-68(58,59)65-44-41(49)42(50)45(63-66(52,53)54)46(43(44)51)64-67(55,56)57/h10,12-13,15-19,21,23,26,28,38,41-46,49-51H,3-9,11,14,20,22,24-25,27,29-37H2,1-2H3,(H,58,59)(H2,52,53,54)(H2,55,56,57)/b12-10-,15-13+,18-16-,19-17-,23-21-,28-26-/t38-,41?,42+,43?,44-,45?,46?/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC/C=C\C/C=C\CCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)COC(CCC/C=C\C/C=C\C/C=C\C=C\CCCCCC)=O