In-Silico Structure Database (LMISSD)
Common Name
PIP[5'](39:0/35:0)
Systematic Name
1-nonatriacontanoyl-2-pentatriacontanoyl-sn-glycero-3-phosphoinositol-5-phosphate
LM ID
LMGP07019P78
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1479.149466
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
UYMDFFHRASZWFJ-ISNYFPKXSA-N
InChi (Click to copy)
InChI=1S/C83H164O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-38-39-40-42-43-45-47-49-51-53-55-57-59-61-63-65-67-69-71-76(84)95-73-75(74-96-101(93,94)99-83-80(88)78(86)79(87)82(81(83)89)98-100(90,91)92)97-77(85)72-70-68-66-64-62-60-58-56-54-52-50-48-46-44-41-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h75,78-83,86-89H,3-74H2,1-2H3,(H,93,94)(H2,90,91,92)/t75-,78-,79?,80?,81?,82?,83-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(OP(=O)(O)O)C1O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O