General
Preferred name
Trimethylamine N-oxide
Synonyms
TMANO Dihydrate ()
Trimethylamine N-oxide dihydrate ()
Trimethylamine N-oxide (hydrate) ()
Trimethylamine-d9 N-oxide ()
P&D ID
PD053853
CAS
1184-78-7
62637-93-8
1161070-49-0
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Trimethylamine N-oxide is a gut microbe-dependent metabolite of dietary choline and other trimethylamine-containing nutrients. Trimethylamine N-oxide induces inflammation by activating the ROS/NLRP3 inflammasome. Trimethylamine N-oxide also accelerates fibroblast-myofibroblast differentiation and induces cardiac fibrosis by activating the TGF-¦Â/smad2 signaling pathway[1][2][3].
PRICE 29
PRICE 29
DESCRIPTION Trimethylamine N-oxide (TMAO) is a colorless amine oxide produced from choline, betaine, and carnitine via intestinal microbial metabolism that accumulates in tissues of marine animals and prevents the protein-damaging effects of urea.Trimethylamine N-oxide induces inflammation through activation of ROS/NLRP3 inflammasomes, which can induce fibroblast differentiation and cardiac fibrosis. (TargetMol Bioactive Compound Library)
DESCRIPTION Trimethylamine N-oxide dihydrate (TMANO Dihydrate), a product of the oxidation of trimethylamine, is considered as a protein stabilizer that may serve to counteract urea, the major osmolyte of sharks, skates and rays. (TargetMol Bioactive Compound Library)
Compound Sets
4
Cayman Chemical Bioactives
31449
17354
MedChem Express Bioactive Compound Library
HY-116084
Selleckchem Bioactive Compound Library
trimethylamine-n-oxide
trimethylamine-n-oxide-dihydrate
TargetMol Bioactive Compound Library
T41245
T5247
External IDs
55
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)
Target
Drug Metabolite
Endogenous Metabolite
NOD-like Receptor (NLR)
Reactive Oxygen Species (ROS)
TGF-beta/Smad
ROS/NLRP3
Reactive Oxygen Species
Pathway
Immunology/Inflammation
Metabolism
NF-κB
Stem Cells
Metabolic Enzyme/Protease
Stem Cell/Wnt
NF-¦ÊB
Source data