In-Silico Structure Database (LMISSD)
Common Name
PIP2[3',4'](13:0/16:1(7Z))
Systematic Name
1-tridecanoyl-2-(7Z-hexadecenoyl)-sn-glycero-3-phosphoinositol-3,4-bisphosphate
LM ID
LMGP08019AHG
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
926.395899
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol bisphosphates [GP08]
Diacylglycerophosphoinositol bisphosphates [GP0801]
String Representations
InChiKey (Click to copy)
RKYWDIYKHNDHLB-VYYVMKHRSA-N
InChi (Click to copy)
InChI=1S/C38H73O19P3/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-32(40)54-30(28-52-31(39)26-24-22-20-18-14-12-10-8-6-4-2)29-53-60(50,51)57-36-33(41)34(42)37(55-58(44,45)46)38(35(36)43)56-59(47,48)49/h16-17,30,33-38,41-43H,3-15,18-29H2,1-2H3,(H,50,51)(H2,44,45,46)(H2,47,48,49)/b17-16-/t30-,33?,34?,35?,36+,37?,38+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCC/C=C\CCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(OP(=O)(O)O)C(O)C1O)COC(CCCCCCCCCCCC)=O