In-Silico Structure Database (LMISSD)
Common Name
PIP[5'](18:2(2E,4E)/10:0)
Systematic Name
1-(2E,4E-octadecadienoyl)-2-decanoyl-sn-glycero-3-phosphoinositol-5-phosphate
LM ID
LMGP07019MGC
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
830.398266
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
LWCRKURWJQPNQT-NTAORXCNSA-N
InChi (Click to copy)
InChI=1S/C37H68O16P2/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-21-23-25-30(38)49-27-29(51-31(39)26-24-22-19-10-8-6-4-2)28-50-55(47,48)53-37-34(42)32(40)33(41)36(35(37)43)52-54(44,45)46/h20-21,23,25,29,32-37,40-43H,3-19,22,24,26-28H2,1-2H3,(H,47,48)(H2,44,45,46)/b21-20+,25-23+/t29-,32-,33?,34?,35?,36?,37-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(OP(=O)(O)O)C1O)COC(/C=C/C=C/CCCCCCCCCCCCC)=O