In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',4'](22:5(7Z,10Z,13Z,16Z,19Z)/15:1(9Z))
Systematic Name
1-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-2-(9Z-pentadecenoyl)-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08019DXW
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)
IJLXIZLZZXNPIT-CXGPHRIRSA-N
InChi (Click to copy)
InChI=1S/C46H79O19P3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-26-28-30-32-34-39(47)60-36-38(62-40(48)35-33-31-29-27-24-16-14-12-10-8-6-4-2)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/h5,7,11-14,17-18,20-21,23,25,38,41-46,49-51H,3-4,6,8-10,15-16,19,22,24,26-37H2,1-2H3,(H,58,59)(H2,52,53,54)(H2,55,56,57)/b7-5-,13-11-,14-12-,18-17-,21-20-,25-23-/t38-,41?,42?,43?,44+,45?,46+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC/C=C\CCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C(O)C1O)COC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O