In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',4'](O-20:1(11Z)/14:1(9Z))
Systematic Name
1-(11Z-eicosenyl)-2-(9Z-tetradecenoyl)-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08029ASV
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
980.479234
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)
NMANODQAPXYEBV-OYFBKVKHSA-N
InChi (Click to copy)
InChI=1S/C43H83O18P3/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-33-56-34-36(58-37(44)32-30-28-26-24-22-14-12-10-8-6-4-2)35-57-64(54,55)61-41-38(45)39(46)42(59-62(48,49)50)43(40(41)47)60-63(51,52)53/h10,12,16-17,36,38-43,45-47H,3-9,11,13-15,18-35H2,1-2H3,(H,54,55)(H2,48,49,50)(H2,51,52,53)/b12-10-,17-16-/t36-,38?,39?,40?,41+,42?,43+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC/C=C\CCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C(O)C1O)COCCCCCCCCCC/C=C\CCCCCCCC