| Common Name |
L-Pyridosine
| Description |
L-Pyridosine is found in milk and milk products. Acid hydrolysis product of heated milk. Marker for heat treatment of milk and other foodstuffsL-Pyridosine belongs to the family of Alpha Amino Acids and Derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon)[1]. (Reference: [1] Amino Acid: http://en.wikipedia.org/wiki/Amino_acid).
| Structure |
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
Structure for HMDB29443 (L-Pyridosine)
| Synonyms |
| Value |
Source |
PyridosineHMDB
| Chemical Formlia |
C12H18N2O4
| Average Molecliar Weight |
254.2823
| Monoisotopic Molecliar Weight |
254.126657074
| IUPAC Name |
2-amino-6-(5-hydroxy-2-methyl-4-oxo-1,4-dihydropyridin-1-yl)hexanoic acid
| Traditional Name |
2-amino-6-(5-hydroxy-2-methyl-4-oxopyridin-1-yl)hexanoic acid
| CAS Registry Number |
31489-08-4
| SMILES |
CC1=CC(=O)C(O)=CN1CCCCC(N)C(O)=O
| InChI Identifier |
InChI=1S/C12H18N2O4/c1-8-6-10(15)11(16)7-14(8)5-3-2-4-9(13)12(17)18/h6-7,9,16H,2-5,13H2,1H3,(H,17,18)
| InChI Key |
HNGPZFLHRXCYGZ-UHFFFAOYSA-N
| Chemical Taxonomy |
| Description |
This compound belongs to the class of chemical entities known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
| Kingdom |
Chemical entities
| Super Class |
Organic compounds
| Class |
Organic acids and derivatives
| Sub Class |
Carboxylic acids and derivatives
| Direct Parent |
Alpha amino acids
| Alternative Parents |
Medium-chain fatty acids
Amino fatty acids
Dihydropyridines
Heterocyclic fatty acids
Methylpyridines
Hydroxypyridines
Hydroxy fatty acids
Vinylogous amides
Heteroaromatic compounds
Amino acids
Cyclic ketones
Monocarboxylic acids and derivatives
Carboxylic acids
Azacyclic compounds
Organic oxides
Organopnictogen compounds
Monoalkylamines
Hydrocarbon derivatives
| Substituents |
Alpha-amino acid
Medium-chain fatty acid
Amino fatty acid
Dihydropyridine
Heterocyclic fatty acid
Hydroxy fatty acid
Methylpyridine
Hydroxypyridine
Hydropyridine
Pyridine
Fatty acid
Fatty acyl
Vinylogous amide
Heteroaromatic compound
Cyclic ketone
Amino acid
Organoheterocyclic compound
Azacycle
Carboxylic acid
Monocarboxylic acid or derivatives
Hydrocarbon derivative
Organonitrogen compound
Primary aliphatic amine
Organooxygen compound
Organic nitrogen compound
Organic oxide
Organopnictogen compound
Primary amine
Carbonyl group
Organic oxygen compound
Amine
Aromatic heteromonocyclic compound
| Molecliar Framework |
Aromatic heteromonocyclic compounds
| External Descriptors |
Not Available
| Ontology |
| Status |
Expected but not Quantified
| Origin |
Endogenous
Food
| Biofunction |
Not Available
| Application |
Nutrient
| Cellliar locations |
Cytoplasm
Extracellliar
| Physical Properties |
| State |
Not Available
| Experimental Properties |
| Property |
Value |
Reference |
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility5.71 mg/mLALOGPS
logP-0.85ALOGPS
logP-1.7ChemAxon
logS-1.6ALOGPS
pKa (Strongest Acidic)2.4ChemAxon
pKa (Strongest Basic)9.32ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area103.86 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity68.59 m3·mol-1ChemAxon
Polarizability26.65 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rlie of FiveYesChemAxon
Ghose FilterYesChemAxon
Vebers RlieYesChemAxon
MDDR-like RlieYesChemAxon
| Spectra |
| Spectra |
| Spectrum Type |
Description |
Splash Key |
|
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, NegativeNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, NegativeNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, NegativeNot Available
| Biological Properties |
| Cellliar Locations |
Cytoplasm
Extracellliar
| Biofluid Locations |
Not Available
| Tissue Location |
Not Available
| Pathways |
Not Available
| Normal Concentrations |
| Not Available |
| Abnormal Concentrations |
|
Not Available
| Associated Disorders and Diseases |
| Disease References |
None
| Associated OMIM IDs |
None
| External Links |
| DrugBank ID |
Not Available
| DrugBank Metabolite ID |
Not Available
| Phenol Explorer Compound ID |
Not Available
| Phenol Explorer Metabolite ID |
Not Available
| FoodDB ID |
FDB000553
| KNApSAcK ID |
Not Available
| Chemspider ID |
14749748
| KEGG Compound ID |
Not Available
| BioCyc ID |
Not Available
| BiGG ID |
Not Available
| Wikipedia Link |
Not Available
| NuGOwiki Link |
HMDB29443
| Metagene Link |
HMDB29443
| METLIN ID |
Not Available
| PubChem Compound |
15664012
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: TBHQ
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
- (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
|
PMID: 2850421
