In-Silico Structure Database (LMISSD)
Common Name
PIP[5'](39:0/32:0)
Systematic Name
1-nonatriacontanoyl-2-dotriacontanoyl-sn-glycero-3-phosphoinositol-5-phosphate
LM ID
LMGP07019P75
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1437.102516
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
RELXGDXKGCLBAY-XGPMNMTLSA-N
InChi (Click to copy)
InChI=1S/C80H158O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-34-35-36-37-38-39-41-42-44-46-48-50-52-54-56-58-60-62-64-66-68-73(81)92-70-72(71-93-98(90,91)96-80-77(85)75(83)76(84)79(78(80)86)95-97(87,88)89)94-74(82)69-67-65-63-61-59-57-55-53-51-49-47-45-43-40-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h72,75-80,83-86H,3-71H2,1-2H3,(H,90,91)(H2,87,88,89)/t72-,75-,76?,77?,78?,79?,80-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(OP(=O)(O)O)C1O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O