In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',4'](17:2(9Z,12Z)/20:4(7E,10E,13E,16E))
Systematic Name
1-(9Z,12Z-heptadecadienoyl)-2-(7E,10E,13E,16E-eicosatetraenoyl)-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08019A5M
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)
QRBFQSXBKOJPSG-YBASDUBGSA-N
InChi (Click to copy)
InChI=1S/C46H79O19P3/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-40(48)62-38(36-60-39(47)34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2)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/h7,9-10,12-13,15-16,18-20,23,25,38,41-46,49-51H,3-6,8,11,14,17,21-22,24,26-37H2,1-2H3,(H,58,59)(H2,52,53,54)(H2,55,56,57)/b9-7+,12-10-,15-13+,18-16-,20-19+,25-23+/t38-,41?,42?,43?,44+,45?,46+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C(O)C1O)COC(CCCCCCC/C=C\C/C=C\CCCC)=O