Posted inUncategorized

Valyl-Methionine

July 21, 2017
Common Name

Valyl-Methionine Description

Valyl-Methionine is a dipeptide composed of valine and methionine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite. Structure

MOLSDF3D-SDFPDBSMILESInChI View 3D Structure

Structure for HMDB29133 (Valyl-Methionine)

Synonyms

Value Source L-Valyl-L-methionineHMDB V-m DipeptideHMDB Val-metHMDB Valine methionine dipeptideHMDB Valine-methionine dipeptideHMDB ValylmethionineHMDB VM DipeptideHMDB

Chemical Formlia

C10H20N2O3S Average Molecliar Weight

248.342 Monoisotopic Molecliar Weight

248.119463206 IUPAC Name

2-(2-amino-3-methylbutanamido)-4-(methylslifanyl)butanoic acid Traditional Name

2-(2-amino-3-methylbutanamido)-4-(methylslifanyl)butanoic acid CAS Registry Number

Not Available SMILES

CSCCC(NC(=O)C(N)C(C)C)C(O)=O

InChI Identifier

InChI=1S/C10H20N2O3S/c1-6(2)8(11)9(13)12-7(10(14)15)4-5-16-3/h6-8H,4-5,11H2,1-3H3,(H,12,13)(H,14,15)

InChI Key

YSGSDAIMSCVPHG-UHFFFAOYSA-N Chemical Taxonomy Description

This compound belongs to the class of chemical entities known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Kingdom

Chemical entities Super Class

Organic compounds Class

Organic acids and derivatives Sub Class

Carboxylic acids and derivatives Direct Parent

Dipeptides Alternative Parents

  • Methionine and derivatives
  • Valine and derivatives
  • N-acyl-alpha amino acids
  • Alpha amino acid amides
  • Thia fatty acids
  • Branched fatty acids
  • N-acyl amines
  • Secondary carboxylic acid amides
  • Amino acids
  • Slifenyl compounds
  • Carboxylic acids
  • Dialkylthioethers
  • Monocarboxylic acids and derivatives
  • Organopnictogen compounds
  • Organic oxides
  • Hydrocarbon derivatives
  • Carbonyl compounds
  • Monoalkylamines

    • Substituents

  • Alpha-dipeptide
  • Methionine or derivatives
  • N-acyl-alpha amino acid or derivatives
  • N-acyl-alpha-amino acid
  • Valine or derivatives
  • Alpha-amino acid amide
  • Alpha-amino acid or derivatives
  • Thia fatty acid
  • Branched fatty acid
  • Fatty acyl
  • Fatty acid
  • Fatty amide
  • N-acyl-amine
  • Secondary carboxylic acid amide
  • Amino acid or derivatives
  • Amino acid
  • Carboxamide group
  • Carboxylic acid
  • Dialkylthioether
  • Monocarboxylic acid or derivatives
  • Slifenyl compound
  • Thioether
  • Amine
  • Organic oxygen compound
  • Primary aliphatic amine
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Carbonyl group
  • Organic oxide
  • Organopnictogen compound
  • Primary amine
  • Organonitrogen compound
  • Organooxygen compound
  • Organoslifur compound
  • Aliphatic acyclic compound

    • Molecliar Framework

    Aliphatic acyclic compounds External Descriptors

    Not Available Ontology Status

    Expected but not Quantified Origin

  • Endogenous

    • Biofunction

    Not Available Application

    Not Available Cellliar locations

    Not Available Physical Properties State

    Solid Experimental Properties

    Property Value Reference Melting PointNot AvailableNot Available Boiling PointNot AvailableNot Available Water SolubilityNot AvailableNot Available LogP-1.84Extrapolated

    Predicted Properties

    Property Value Source Water Solubility2.88 mg/mLALOGPS logP-0.93ALOGPS logP-1.8ChemAxon logS-1.9ALOGPS pKa (Strongest Acidic)3.93ChemAxon pKa (Strongest Basic)8.51ChemAxon Physiological Charge0ChemAxon Hydrogen Acceptor Count4ChemAxon Hydrogen Donor Count3ChemAxon Polar Surface Area92.42 Å2ChemAxon Rotatable Bond Count7ChemAxon Refractivity63.88 m3·mol-1ChemAxon Polarizability26.53 Å3ChemAxon Number of Rings0ChemAxon Bioavailability1ChemAxon Rlie of FiveYesChemAxon Ghose FilterYesChemAxon Vebers RlieYesChemAxon MDDR-like RlieYesChemAxon

    Spectra Spectra

    Not Available Biological Properties Cellliar Locations

    Not Available 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

    Not Available KNApSAcK ID

    Not Available Chemspider ID

    Not Available KEGG Compound ID

    Not Available BioCyc ID

    Not Available BiGG ID

    Not Available Wikipedia Link

    Not Available NuGOwiki Link

    HMDB29133 Metagene Link

    HMDB29133 METLIN ID

    Not Available PubChem Compound

    Not Available PDB ID

    Not Available ChEBI ID

    Not Available

    Product: Protodioscin

    References Synthesis Reference Not Available Material Safety Data Sheet (MSDS) Not Available General References
    1. Glaser B, Moskvina V, Kirov G, Murphy KC, Williams H, Williams N, Owen MJ, ODonovan MC: Analysis of ProDH, COMT and ZDHHC8 risk variants does not support individual or interactive effects on schizophrenia susceptibility. Schizophr Res. 2006 Oct;87(1-3):21-7. Epub 2006 Jul 21. [PubMed:16860541 ]
    2. Ishikawa Y, Mukawa J, Kinjo T, Mekaru S, Miyazato H, Takara E, Kuda H: [Crossed cerebellar diaschisis in putaminal hemorrhage–evaluation by the Xe-133 clearance method]. No To Shinkei. 1994 Apr;46(4):335-40. [PubMed:8024832 ]
    3. Brunner EJ, Kivimaki M, Siegrist J, Theorell T, Luukkonen R, Riihimaki H, Vahtera J, Kirjonen J, Leino-Arjas P: Is the effect of work stress on cardiovascular mortality confounded by socioeconomic factors in the Valmet study? J Epidemiol Community Health. 2004 Dec;58(12):1019-20. [PubMed:15547064 ]
    4. Colzato LS, van Muijden J, Band GP, Hommel B: Genetic Modulation of Training and Transfer in Older Adults: BDNF ValMet Polymorphism is Associated with Wider Useful Field of View. Front Psychol. 2011 Sep 1;2:199. doi: 10.3389/fpsyg.2011.00199. eCollection 2011. [PubMed:21909331 ]
    5. Henquet C, Rosa A, Delespaul P, Papiol S, Fananas L, van Os J, Myin-Germeys I: COMT ValMet moderation of cannabis-induced psychosis: a momentary assessment study of switching on hallucinations in the flow of daily life. Acta Psychiatr Scand. 2009 Feb;119(2):156-60. doi: 10.1111/j.1600-0447.2008.01265.x. Epub 2008 Sep 18. [PubMed:18808401 ]
    6. Zhang K, Zheng Z, Gao X, Li J, Zhang F: Possible relationship between the COMT gene ValMet polymorphism and psychometric IQ in girls of the Qinba region in China. Neuropsychobiology. 2007;56(2-3):98-103. doi: 10.1159/000112950. Epub 2008 Jan 10. [PubMed:18182829 ]
    7. Ohta H, Suzuki E, Hinuma Y, Kawamura S, Nemoto M, Hadeishi H: [Effects of hyperoxia, glycerol and ventricular drainage on ICP and CBF in patients with increased ICP due to CSF circulatory-absorbance disturbance]. No To Shinkei. 1987 Mar;39(3):273-9. [PubMed:3580214 ]
    8. Leuchter AF, McCracken JT, Hunter AM, Cook IA, Alpert JE: Monoamine oxidase a and catechol-o-methyltransferase functional polymorphisms and the placebo response in major depressive disorder. J Clin Psychopharmacol. 2009 Aug;29(4):372-7. doi: 10.1097/JCP.0b013e3181ac4aaf. [PubMed:19593178 ]
    9. Ohta H: [The effect of hyperoxemia on cerebral blood flow in normal humans]. No To Shinkei. 1986 Oct;38(10):949-59. [PubMed:3098265 ]
    10. Kuronen P, Sorri MJ, Paakkonen R, Muhli A: Temporary threshold shift in military pilots measured using conventional and extended high-frequency audiometry after one flight. Int J Audiol. 2003 Jan;42(1):29-33. [PubMed:12564513 ]
    11. Ohta H, Nemoto M, Kawamura S, Hadeishi H, Hinuma Y, Suzuki E: [The effects of hyperoxemia on cerebral blood flow in subarachnoid hemorrhage patients]. No To Shinkei. 1987 Jul;39(7):649-56. [PubMed:3118911 ]

    PMID: 10455251

    Last updated on
    Posted inUncategorized

    Valyl-Methionine

    July 21, 2017
    Common Name

    Valyl-Methionine Description

    Valyl-Methionine is a dipeptide composed of valine and methionine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite. Structure

    MOLSDF3D-SDFPDBSMILESInChI View 3D Structure

    Structure for HMDB29133 (Valyl-Methionine)

    Synonyms

    Value Source L-Valyl-L-methionineHMDB V-m DipeptideHMDB Val-metHMDB Valine methionine dipeptideHMDB Valine-methionine dipeptideHMDB ValylmethionineHMDB VM DipeptideHMDB

    Chemical Formlia

    C10H20N2O3S Average Molecliar Weight

    248.342 Monoisotopic Molecliar Weight

    248.119463206 IUPAC Name

    2-(2-amino-3-methylbutanamido)-4-(methylslifanyl)butanoic acid Traditional Name

    2-(2-amino-3-methylbutanamido)-4-(methylslifanyl)butanoic acid CAS Registry Number

    Not Available SMILES

    CSCCC(NC(=O)C(N)C(C)C)C(O)=O

    InChI Identifier

    InChI=1S/C10H20N2O3S/c1-6(2)8(11)9(13)12-7(10(14)15)4-5-16-3/h6-8H,4-5,11H2,1-3H3,(H,12,13)(H,14,15)

    InChI Key

    YSGSDAIMSCVPHG-UHFFFAOYSA-N Chemical Taxonomy Description

    This compound belongs to the class of chemical entities known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Kingdom

    Chemical entities Super Class

    Organic compounds Class

    Organic acids and derivatives Sub Class

    Carboxylic acids and derivatives Direct Parent

    Dipeptides Alternative Parents

  • Methionine and derivatives
  • Valine and derivatives
  • N-acyl-alpha amino acids
  • Alpha amino acid amides
  • Thia fatty acids
  • Branched fatty acids
  • N-acyl amines
  • Secondary carboxylic acid amides
  • Amino acids
  • Slifenyl compounds
  • Carboxylic acids
  • Dialkylthioethers
  • Monocarboxylic acids and derivatives
  • Organopnictogen compounds
  • Organic oxides
  • Hydrocarbon derivatives
  • Carbonyl compounds
  • Monoalkylamines

    • Substituents

  • Alpha-dipeptide
  • Methionine or derivatives
  • N-acyl-alpha amino acid or derivatives
  • N-acyl-alpha-amino acid
  • Valine or derivatives
  • Alpha-amino acid amide
  • Alpha-amino acid or derivatives
  • Thia fatty acid
  • Branched fatty acid
  • Fatty acyl
  • Fatty acid
  • Fatty amide
  • N-acyl-amine
  • Secondary carboxylic acid amide
  • Amino acid or derivatives
  • Amino acid
  • Carboxamide group
  • Carboxylic acid
  • Dialkylthioether
  • Monocarboxylic acid or derivatives
  • Slifenyl compound
  • Thioether
  • Amine
  • Organic oxygen compound
  • Primary aliphatic amine
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Carbonyl group
  • Organic oxide
  • Organopnictogen compound
  • Primary amine
  • Organonitrogen compound
  • Organooxygen compound
  • Organoslifur compound
  • Aliphatic acyclic compound

    • Molecliar Framework

    Aliphatic acyclic compounds External Descriptors

    Not Available Ontology Status

    Expected but not Quantified Origin

  • Endogenous

    • Biofunction

    Not Available Application

    Not Available Cellliar locations

    Not Available Physical Properties State

    Solid Experimental Properties

    Property Value Reference Melting PointNot AvailableNot Available Boiling PointNot AvailableNot Available Water SolubilityNot AvailableNot Available LogP-1.84Extrapolated

    Predicted Properties

    Property Value Source Water Solubility2.88 mg/mLALOGPS logP-0.93ALOGPS logP-1.8ChemAxon logS-1.9ALOGPS pKa (Strongest Acidic)3.93ChemAxon pKa (Strongest Basic)8.51ChemAxon Physiological Charge0ChemAxon Hydrogen Acceptor Count4ChemAxon Hydrogen Donor Count3ChemAxon Polar Surface Area92.42 Å2ChemAxon Rotatable Bond Count7ChemAxon Refractivity63.88 m3·mol-1ChemAxon Polarizability26.53 Å3ChemAxon Number of Rings0ChemAxon Bioavailability1ChemAxon Rlie of FiveYesChemAxon Ghose FilterYesChemAxon Vebers RlieYesChemAxon MDDR-like RlieYesChemAxon

    Spectra Spectra

    Not Available Biological Properties Cellliar Locations

    Not Available 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

    Not Available KNApSAcK ID

    Not Available Chemspider ID

    Not Available KEGG Compound ID

    Not Available BioCyc ID

    Not Available BiGG ID

    Not Available Wikipedia Link

    Not Available NuGOwiki Link

    HMDB29133 Metagene Link

    HMDB29133 METLIN ID

    Not Available PubChem Compound

    Not Available PDB ID

    Not Available ChEBI ID

    Not Available

    Product: Protodioscin

    References Synthesis Reference Not Available Material Safety Data Sheet (MSDS) Not Available General References
    1. Glaser B, Moskvina V, Kirov G, Murphy KC, Williams H, Williams N, Owen MJ, ODonovan MC: Analysis of ProDH, COMT and ZDHHC8 risk variants does not support individual or interactive effects on schizophrenia susceptibility. Schizophr Res. 2006 Oct;87(1-3):21-7. Epub 2006 Jul 21. [PubMed:16860541 ]
    2. Ishikawa Y, Mukawa J, Kinjo T, Mekaru S, Miyazato H, Takara E, Kuda H: [Crossed cerebellar diaschisis in putaminal hemorrhage–evaluation by the Xe-133 clearance method]. No To Shinkei. 1994 Apr;46(4):335-40. [PubMed:8024832 ]
    3. Brunner EJ, Kivimaki M, Siegrist J, Theorell T, Luukkonen R, Riihimaki H, Vahtera J, Kirjonen J, Leino-Arjas P: Is the effect of work stress on cardiovascular mortality confounded by socioeconomic factors in the Valmet study? J Epidemiol Community Health. 2004 Dec;58(12):1019-20. [PubMed:15547064 ]
    4. Colzato LS, van Muijden J, Band GP, Hommel B: Genetic Modulation of Training and Transfer in Older Adults: BDNF ValMet Polymorphism is Associated with Wider Useful Field of View. Front Psychol. 2011 Sep 1;2:199. doi: 10.3389/fpsyg.2011.00199. eCollection 2011. [PubMed:21909331 ]
    5. Henquet C, Rosa A, Delespaul P, Papiol S, Fananas L, van Os J, Myin-Germeys I: COMT ValMet moderation of cannabis-induced psychosis: a momentary assessment study of switching on hallucinations in the flow of daily life. Acta Psychiatr Scand. 2009 Feb;119(2):156-60. doi: 10.1111/j.1600-0447.2008.01265.x. Epub 2008 Sep 18. [PubMed:18808401 ]
    6. Zhang K, Zheng Z, Gao X, Li J, Zhang F: Possible relationship between the COMT gene ValMet polymorphism and psychometric IQ in girls of the Qinba region in China. Neuropsychobiology. 2007;56(2-3):98-103. doi: 10.1159/000112950. Epub 2008 Jan 10. [PubMed:18182829 ]
    7. Ohta H, Suzuki E, Hinuma Y, Kawamura S, Nemoto M, Hadeishi H: [Effects of hyperoxia, glycerol and ventricular drainage on ICP and CBF in patients with increased ICP due to CSF circulatory-absorbance disturbance]. No To Shinkei. 1987 Mar;39(3):273-9. [PubMed:3580214 ]
    8. Leuchter AF, McCracken JT, Hunter AM, Cook IA, Alpert JE: Monoamine oxidase a and catechol-o-methyltransferase functional polymorphisms and the placebo response in major depressive disorder. J Clin Psychopharmacol. 2009 Aug;29(4):372-7. doi: 10.1097/JCP.0b013e3181ac4aaf. [PubMed:19593178 ]
    9. Ohta H: [The effect of hyperoxemia on cerebral blood flow in normal humans]. No To Shinkei. 1986 Oct;38(10):949-59. [PubMed:3098265 ]
    10. Kuronen P, Sorri MJ, Paakkonen R, Muhli A: Temporary threshold shift in military pilots measured using conventional and extended high-frequency audiometry after one flight. Int J Audiol. 2003 Jan;42(1):29-33. [PubMed:12564513 ]
    11. Ohta H, Nemoto M, Kawamura S, Hadeishi H, Hinuma Y, Suzuki E: [The effects of hyperoxemia on cerebral blood flow in subarachnoid hemorrhage patients]. No To Shinkei. 1987 Jul;39(7):649-56. [PubMed:3118911 ]

    PMID: 10455251

    Last updated on