Hmdb loader

Showing metabocard for N-Methylpyridinium (HMDB0240545)

Jump To Section:
IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesXML
Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2019-10-11 16:10:34 UTC
Update Date2022-03-07 03:18:18 UTC
HMDB IDHMDB0240545
Secondary Accession NumbersNone
Metabolite Identification
Common NameN-Methylpyridinium
Description
Structure
Thumb
MOLSDFPDBSMILESInChI

MOL for HMDB0240545 (N-Methylpyridinium)

Not Available

3D MOL for HMDB0240545 (N-Methylpyridinium)

Not Available

3D SDF for HMDB0240545 (N-Methylpyridinium)

Not Available

3D-SDF for HMDB0240545 (N-Methylpyridinium)

Not Available

PDB for HMDB0240545 (N-Methylpyridinium)

Not Available

3D PDB for HMDB0240545 (N-Methylpyridinium)

Not Available

SMILES for HMDB0240545 (N-Methylpyridinium)

Not Available

INCHI for HMDB0240545 (N-Methylpyridinium)

Not Available
View in JSmolView NMR AssignmentsView Stereo Labels
SynonymsNot Available
Chemical FormulaC6H8N
Average Molecular Weight94.136
Monoisotopic Molecular Weight94.065125682
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILESNot Available
InChI Identifier
InChI=1S/C6H8N/c1-7-5-3-2-4-6-7/h2-6H,1H3/q+1
InChI KeyPQBAWAQIRZIWIV-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic Properties
Predicted Molecular PropertiesNot Available
Predicted Chromatographic Properties

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
N-MethylpyridiniumC[N+]1=CC=CC=C11124.5Standard polar33892256
N-MethylpyridiniumC[N+]1=CC=CC=C1830.8Standard non polar33892256
N-MethylpyridiniumC[N+]1=CC=CC=C1796.2Semi standard non polar33892256
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
External LinksNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available