In-Silico Structure Database (LMISSD)
Common Name
PIP[3'](10:0/18:2(6Z,9Z))
Systematic Name
1-decanoyl-2-(6Z,9Z-octadecadienoyl)-sn-glycero-3-phosphoinositol-3-phosphate
LM ID
LMGP07019AAZ
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)
MUDKUIRUKJFALL-JBRYFCIXSA-N
InChi (Click to copy)
InChI=1S/C37H68O16P2/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-26-31(39)51-29(27-49-30(38)25-23-21-19-10-8-6-4-2)28-50-55(47,48)53-37-34(42)32(40)33(41)36(35(37)43)52-54(44,45)46/h14-15,17-18,29,32-37,40-43H,3-13,16,19-28H2,1-2H3,(H,47,48)(H2,44,45,46)/b15-14-,18-17-/t29-,32?,33?,34?,35?,36-,37+/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCC/C=C\C/C=C\CCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](OP(O)(=O)O)C(O)C(O)C1O)COC(CCCCCCCCC)=O