In-Silico Structure Database (LMISSD)
Common Name
PIP[5'](36:0/29:0)
Systematic Name
1-hexatriacontanoyl-2-nonacosanoyl-sn-glycero-3-phosphoinositol-5-phosphate
LM ID
LMGP07019P05
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1353.008616
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
SCMYGWIUPDTHAG-WNTFHLRLSA-N
InChi (Click to copy)
InChI=1S/C74H146O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-33-34-35-36-37-39-40-42-44-46-48-50-52-54-56-58-60-62-67(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)63-61-59-57-55-53-51-49-47-45-43-41-38-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h66,69-74,77-80H,3-65H2,1-2H3,(H,84,85)(H2,81,82,83)/t66-,69-,70?,71?,72?,73?,74-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(OP(=O)(O)O)C1O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O