In-Silico Structure Database (LMISSD)
Common Name
PIP[5'](36:0/37:0)
Systematic Name
1-hexatriacontanoyl-2-heptatriacontanoyl-sn-glycero-3-phosphoinositol-5-phosphate
LM ID
LMGP07019P1D
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1465.133816
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
HCHCLRQYLRWQBE-WQEBRVMWSA-N
InChi (Click to copy)
InChI=1S/C82H162O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-76(84)96-74(73-95-100(92,93)98-82-79(87)77(85)78(86)81(80(82)88)97-99(89,90)91)72-94-75(83)70-68-66-64-62-60-58-56-54-52-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h74,77-82,85-88H,3-73H2,1-2H3,(H,92,93)(H2,89,90,91)/t74-,77-,78?,79?,80?,81?,82-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(OP(=O)(O)O)C1O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O