In-Silico Structure Database (LMISSD)
Common Name
PIP[5'](39:0/26:2(5Z,9Z))
Systematic Name
1-nonatriacontanoyl-2-(5Z,9Z-hexacosadienoyl)-sn-glycero-3-phosphoinositol-5-phosphate
LM ID
LMGP07019P7Z
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1348.977316
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
YBQNEYQKMSTDNV-DBGBSHPKSA-N
InChi (Click to copy)
InChI=1S/C74H142O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-29-30-31-32-33-34-35-36-37-38-39-41-42-44-46-48-50-52-54-56-58-60-62-67(75)86-64-66(65-87-92(84,85)90-74-71(79)69(77)70(78)73(72(74)80)89-91(81,82)83)88-68(76)63-61-59-57-55-53-51-49-47-45-43-40-26-24-22-20-18-16-14-12-10-8-6-4-2/h47,49,55,57,66,69-74,77-80H,3-46,48,50-54,56,58-65H2,1-2H3,(H,84,85)(H2,81,82,83)/b49-47-,57-55-/t66-,69-,70?,71?,72?,73?,74-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCC/C=C\CC/C=C\CCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(OP(=O)(O)O)C1O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O