In-Silico Structure Database (LMISSD)
Common Name
PIP[3'](12:0/18:2(9Z,11Z))
Systematic Name
1-dodecanoyl-2-(9Z,11Z-octadecadienoyl)-sn-glycero-3-phosphoinositol-3-phosphate
LM ID
LMGP07019AFO
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
858.429566
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
BXFQPPUBNWDZKB-PBXPBSMZSA-N
InChi (Click to copy)
InChI=1S/C39H72O16P2/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-33(41)53-31(29-51-32(40)27-25-23-21-19-12-10-8-6-4-2)30-52-57(49,50)55-39-36(44)34(42)35(43)38(37(39)45)54-56(46,47)48/h13-16,31,34-39,42-45H,3-12,17-30H2,1-2H3,(H,49,50)(H2,46,47,48)/b14-13-,16-15-/t31-,34?,35?,36?,37?,38-,39+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCC/C=C\C=C/CCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(O)C1O)COC(CCCCCCCCCCC)=O