In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',4'](O-14:0/15:1(9Z))
Systematic Name
1-tetradecyl-2-(9Z-pentadecenoyl)-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08029AAH
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
912.416634
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)
MOEIIFAUOAKURB-TXHHJMHFSA-N
InChi (Click to copy)
InChI=1S/C38H75O18P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(39)53-31(29-51-28-26-24-22-20-18-16-14-12-10-8-6-4-2)30-52-59(49,50)56-36-33(40)34(41)37(54-57(43,44)45)38(35(36)42)55-58(46,47)48/h11,13,31,33-38,40-42H,3-10,12,14-30H2,1-2H3,(H,49,50)(H2,43,44,45)(H2,46,47,48)/b13-11-/t31-,33?,34?,35?,36+,37?,38+/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)COCCCCCCCCCCCCCC