General
Preferred name
Trimethylamine N-oxide
Synonyms
TMANO Dihydrate ()
Trimethylamine N-oxide dihydrate ()
Trimethylamine-d9 N-oxide ()
P&D ID
PD053853
CAS
62637-93-8
1184-78-7
1161070-49-0
Tags
available
natural product
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
4
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
46
Properties
(calculated by RDKit )
Molecular Weight
75.07
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
0
Rotatable Bonds
0
Ring Count
0
Aromatic Ring Count
0
cLogP
0.19
TPSA
23.06
Fraction CSP3
1.0
Chiral centers
0.0
Largest ring
0.0
QED
0.3
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Immunology/Inflammation
Metabolic Enzyme/Protease
NF-κB
Stem Cell/Wnt
TGF-beta/Smad
Target
Drug Metabolite
Endogenous Metabolite
NOD-like Receptor (NLR)
Reactive Oxygen Species
ROS/NLRP3
Source data
