In-Silico Structure Database (LMISSD)
Common Name
PIP[5'](39:0/31:0)
Systematic Name
1-nonatriacontanoyl-2-hentriacontanoyl-sn-glycero-3-phosphoinositol-5-phosphate
LM ID
LMGP07019P74
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1423.086866
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
AXPPQQPWQVVDAO-RCANGYODSA-N
InChi (Click to copy)
InChI=1S/C79H156O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-34-35-36-37-38-39-40-42-43-45-47-49-51-53-55-57-59-61-63-65-67-72(80)91-69-71(70-92-97(89,90)95-79-76(84)74(82)75(83)78(77(79)85)94-96(86,87)88)93-73(81)68-66-64-62-60-58-56-54-52-50-48-46-44-41-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h71,74-79,82-85H,3-70H2,1-2H3,(H,89,90)(H2,86,87,88)/t71-,74-,75?,76?,77?,78?,79-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(OP(=O)(O)O)C1O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O