In-Silico Structure Database (LMISSD)
Common Name
PIP[3'](12:0/18:4(6Z,9Z,12Z,15Z))
Systematic Name
1-dodecanoyl-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-sn-glycero-3-phosphoinositol-3-phosphate
LM ID
LMGP07019AFS
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
854.398266
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
GMKGQRSVYMHQPB-JTTOZUFVSA-N
InChi (Click to copy)
InChI=1S/C39H68O16P2/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/h5,7,11,13,15-16,18,20,31,34-39,42-45H,3-4,6,8-10,12,14,17,19,21-30H2,1-2H3,(H,49,50)(H2,46,47,48)/b7-5-,13-11-,16-15-,20-18-/t31-,34?,35?,36?,37?,38-,39+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(O)C1O)COC(CCCCCCCCCCC)=O