In-Silico Structure Database (LMISSD)
Common Name
PIP[5'](35:0/31:0)
Systematic Name
1-pentatriacontanoyl-2-hentriacontanoyl-sn-glycero-3-phosphoinositol-5-phosphate
LM ID
LMGP07019PYW
Status
Active (generated by computational methods)
Exact Mass
Calculate m/z
1367.024266
Formula
Main
Classification
Category
Main Class
Sub Class
Glycerophospholipids [GP]
Glycerophosphoinositol monophosphates [GP07]
Diacylglycerophosphoinositol monophosphates [GP0701]
String Representations
InChiKey (Click to copy)
XGVZIDPVDQRYMW-OHLFQGIGSA-N
InChi (Click to copy)
InChI=1S/C75H148O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-34-35-36-38-39-41-43-45-47-49-51-53-55-57-59-61-63-68(76)87-65-67(66-88-93(85,86)91-75-72(80)70(78)71(79)74(73(75)81)90-92(82,83)84)89-69(77)64-62-60-58-56-54-52-50-48-46-44-42-40-37-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h67,70-75,78-81H,3-66H2,1-2H3,(H,85,86)(H2,82,83,84)/t67-,70-,71?,72?,73?,74?,75-/m1/s1
SMILES (Click to copy)
[C@]([H])(OC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O)(COP(=O)(O)O[C@@H]1C(O)[C@H](O)C(O)C(OP(=O)(O)O)C1O)COC(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O