General
Preferred name
Entomin
Synonyms
CARNITINE (dl) HYDROCHLORIDE ()
(¡À)-Carnitine (chloride) ()
(??)-Carnitine chloride ()
DL-Carnitine chloride ()
Monocamin ()
Bicarnesine ()
DL-Carnitine HCl ()
(??)-Carnitine (chloride) ()
DL-Carnitine hydrochloride ()
(±)-Carnitine (chloride) ()
(+/-)-Carnitine Chloride ()
Carnitine Chloride ()
DL-Carnitine-d9 (chloride) ()
P&D ID
PD013864
CAS
461-06-3
461-05-2
406-76-8
6645-46-1
6819-24-5
17360-44-0
1219386-75-0
Tags
available
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
7
AdooQ Bioactive Compound Library
Cayman Chemical Bioactives
MedChem Express Bioactive Compound Library
NPC Screening Collection
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
The Spectrum Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
47
Properties
(calculated by RDKit )
Molecular Weight
162.11
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
4
Ring Count
0
Aromatic Ring Count
0
cLogP
-0.47
TPSA
57.53
Fraction CSP3
0.86
Chiral centers
1.0
Largest ring
0.0
QED
0.55
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Immunology/Inflammation
Metabolic Enzyme/Protease
NF-κB
Target
Reactive Oxygen Species
Source data
