In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',4'](O-22:1(9Z)/15:0)
Systematic Name
1-(9Z-docosenyl)-2-pentadecanoyl-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08029A6Q
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1024.541834
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
1-alkyl,2-acylglycerophosphoinositol bisphosphates [GP0802]
String Representations
InChiKey (Click to copy)
LAJHNRXGBJXITC-OXAMFGKESA-N
InChi (Click to copy)
InChI=1S/C46H91O18P3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-59-37-39(61-40(47)35-33-31-29-27-25-16-14-12-10-8-6-4-2)38-60-67(57,58)64-44-41(48)42(49)45(62-65(51,52)53)46(43(44)50)63-66(54,55)56/h21-22,39,41-46,48-50H,3-20,23-38H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b22-21-/t39-,41?,42?,43?,44+,45?,46+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C(O)C1O)COCCCCCCCC/C=C\CCCCCCCCCCCC