In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',5'](26:1(5Z)/11:0)
Systematic Name
1-(5Z-hexacosenoyl)-2-undecanoyl-sn-glycero-3-phosphoinositol-3,5-bisphosphate
LM ID
LMGP08019JTU
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1038.521099
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
NVEGSBXDDSTDPQ-SYTGLVTOSA-N
InChi (Click to copy)
InChI=1S/C46H89O19P3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-29-30-32-34-39(47)60-36-38(62-40(48)35-33-31-28-12-10-8-6-4-2)37-61-68(58,59)65-46-42(50)44(63-66(52,53)54)41(49)45(43(46)51)64-67(55,56)57/h27,29,38,41-46,49-51H,3-26,28,30-37H2,1-2H3,(H,58,59)(H2,52,53,54)(H2,55,56,57)/b29-27-/t38-,41?,42?,43?,44-,45?,46-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(OP(=O)(O)O)C1O)COC(CCC/C=C\CCCCCCCCCCCCCCCCCCCC)=O