Wed. Jul 30th, 2025
Common Name

N-Butyrylglycine Description

N-Butyrylglycine is an acyl glycine. Acyl glycines are normally minor metabolites of fatty acids. However, the excretion of certain acyl glycines is increased in several inborn errors of metabolism. In certain cases the measurement of these metabolites in body fluids can be used to diagnose disorders associated with mitochondrial fatty acid beta-oxidation. Acyl glycines are produced through the action of glycine N-acyltransferase (EC 2.3.1.13) which is an enzyme that catalyzes the chemical reaction:acyl-CoA + glycine < -- > CoA + N-acylglycineAmino acids composed of glycine substituted at the nitrogen rather than the usual carbon position, resliting in the loss of hydrogen bonding donors. Polymers of these compounds are called Peptoids. Structure

Synonyms

Value Source 2-Butanamidoacetic acidChEBI 2-Butyramidoacetic acidChEBI Butanamidoacetic acidChEBI Butyramidoacetic acidChEBI N-(1-Oxobutyl)glycineChEBI N-Butyryl-glycineChEBI 2-ButanamidoacetateGenerator 2-ButyramidoacetateGenerator ButanamidoacetateGenerator ButyramidoacetateGenerator ButyrylglycineHMDB N-ButanoylglycineHMDB

Chemical Formlia

C6H11NO3 Average Molecliar Weight

145.1564 Monoisotopic Molecliar Weight

145.073893223 IUPAC Name

2-butanamidoacetic acid Traditional Name

butyrylglycine CAS Registry Number

20208-73-5 SMILES

CCCC(=O)NCC(O)=O

InChI Identifier

InChI=1S/C6H11NO3/c1-2-3-5(8)7-4-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10)

InChI Key

WPSSBBPLVMTKRN-UHFFFAOYSA-N Chemical Taxonomy Description

This compound belongs to the class of chemical entities known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. Kingdom

Chemical entities Super Class

Organic compounds Class

Organic acids and derivatives Sub Class

Carboxylic acids and derivatives Direct Parent

N-acyl-alpha amino acids Alternative Parents

  • Propargyl-type 1,3-dipolar organic compounds
  • Monocarboxylic acids and derivatives
  • Carboxylic acids
  • Carboximidic acids
  • Organopnictogen compounds
  • Organonitrogen compounds
  • Organic oxides
  • Hydrocarbon derivatives
  • Carbonyl compounds
  • Substituents

  • N-acyl-alpha-amino acid
  • Carboximidic acid
  • Carboximidic acid derivative
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Organic 1,3-dipolar compound
  • Propargyl-type 1,3-dipolar organic compound
  • Carbonyl group
  • Organooxygen compound
  • Organonitrogen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Organic nitrogen compound
  • Aliphatic acyclic compound
  • Molecliar Framework

    Aliphatic acyclic compounds External Descriptors

    Not Available Ontology Status

    Detected and Quantified Origin

  • Endogenous
  • Biofunction

    Not Available Application

    Not Available Cellliar locations

  • Cytoplasm (predicted from logP)
  • Physical Properties State

    Solid 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 Solubility17.6 mg/mLALOGPS logP0.03ALOGPS logP-0.18ChemAxon logS-0.92ALOGPS pKa (Strongest Acidic)4.06ChemAxon pKa (Strongest Basic)-1.2ChemAxon Physiological Charge-1ChemAxon Hydrogen Acceptor Count3ChemAxon Hydrogen Donor Count2ChemAxon Polar Surface Area66.4 Å2ChemAxon Rotatable Bond Count4ChemAxon Refractivity34.68 m3·mol-1ChemAxon Polarizability14.64 Å3ChemAxon Number of Rings0ChemAxon Bioavailability1ChemAxon Rlie of FiveYesChemAxon Ghose FilterYesChemAxon Vebers RlieYesChemAxon MDDR-like RlieYesChemAxon

    Spectra Spectra

    Spectrum Type Description Splash Key LC-MS/MS

    LC-MS/MS Spectrum – Quattro_QQQ 10V, Positive (Annotated)splash10-00b9-9000000000-7adf49075b14108e9349View in MoNA LC-MS/MS

    LC-MS/MS Spectrum – Quattro_QQQ 25V, Positive (Annotated)splash10-0006-9000000000-576cac3520e069cb3320View in MoNA LC-MS/MS

    LC-MS/MS Spectrum – Quattro_QQQ 40V, Positive (Annotated)splash10-0006-9000000000-589800c2ea24ecb7aebfView in MoNA 1D NMR

    1H NMR SpectrumNot Available

    Biological Properties Cellliar Locations

  • Cytoplasm (predicted from logP)
  • Biofluid Locations

  • Blood
  • Urine
  • Tissue Location

    Not Available Pathways

    Not Available Normal Concentrations

    Biofluid Status Value Age Sex Condition Reference Details BloodExpected but not Quantified Not AvailableNot Available

    Normal

  • details UrineDetected and Quantified0.24 +/- 0.36 umol/mmol creatinineInfant (0-1 year old)BothNormal

  • 2026685
  • details

    Abnormal Concentrations

    Biofluid Status Value Age Sex Condition Reference Details UrineDetected and Quantified2.0 (0.38-3.8) umol/mmol creatinineChildren (1-13 years old)BothShort chain acyl-CoA Dehydrogenase deficiency (SCAD)

  • MetaGene
  • details UrineDetected and Quantified1.0 (0.0-2.0) umol/mmol creatinineAdlit (>18 years old)BothEthylmalonic encephalopathy

  • MetaGene
  • details UrineDetected and Quantified101.0 (2.0-200.0) umol/mmol creatinineChildren (1-13 years old)BothEthylmalonic encephalopathy

  • MetaGene
  • details

    Associated Disorders and Diseases Disease References

    Short Chain Acyl-Coa Dehydrogenase Deficiency

    1. MetaGene [Link]

    Ethylmalonic encephalopathy

    1. MetaGene [Link]

    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

    FDB022256 KNApSAcK ID

    Not Available Chemspider ID

    79766 KEGG Compound ID

    Not Available BioCyc ID

    Not Available BiGG ID

    Not Available Wikipedia Link

    Not Available NuGOwiki Link

    HMDB00808 Metagene Link

    HMDB00808 METLIN ID

    5772 PubChem Compound

    88412 PDB ID

    Not Available ChEBI ID

    Not Available

    Product: Mivebresib

    References Synthesis Reference Bondi, S.; Eissler, F. Lipoproteins and the Fatty Degeneration of Cells. Biochemische Zeitschrift (1910), 23 499-513. Material Safety Data Sheet (MSDS) Not Available General References
    1. Tein I, Haslam RH, Rhead WJ, Bennett MJ, Becker LE, Vockley J: Short-chain acyl-CoA dehydrogenase deficiency: a cause of ophthalmoplegia and multicore myopathy. Neurology. 1999 Jan 15;52(2):366-72. [PubMed:9932958 ]
    2. Bhala A, Willi SM, Rinaldo P, Bennett MJ, Schmidt-Sommerfeld E, Hale DE: Clinical and biochemical characterization of short-chain acyl-coenzyme A dehydrogenase deficiency. J Pediatr. 1995 Jun;126(6):910-5. [PubMed:7776094 ]
    3. Ito T, Kidouchi K, Sugiyama N, Kajita M, Chiba T, Niwa T, Wada Y: Liquid chromatographic-atmospheric pressure chemical ionization mass spectrometric analysis of glycine conjugates and urinary isovalerylglycine in isovaleric acidemia. J Chromatogr B Biomed Appl. 1995 Aug 18;670(2):317-22. [PubMed:8548022 ]
    4. Dawson DB, Waber L, Hale DE, Bennett MJ: Transient organic aciduria and persistent lacticacidemia in a patient with short-chain acyl-coenzyme A dehydrogenase deficiency. J Pediatr. 1995 Jan;126(1):69-71. [PubMed:7815229 ]
    5. Hagen T, Korson MS, Sakamoto M, Evans JE: A GC/MS/MS screening method for multiple organic acidemias from urine specimens. Clin Chim Acta. 1999 May;283(1-2):77-88. [PubMed:10404733 ]

    Enzymes

    General function:
    Involved in glycine N-acyltransferase activity
    Specific function:
    Mitochondrial acyltransferase which transfers an acyl group to the N-terminus of glycine and glutamine, although much less efficiently. Can conjugate numerous substrates to form a variety of N-acylglycines, with a preference for benzoyl-CoA over phenylacetyl-CoA as acyl donors. Thereby detoxify xenobiotics, such as benzoic acid or salicylic acid, and endogenous organic acids, such as isovaleric acid.
    Gene Name:
    GLYAT
    Uniprot ID:
    Q6IB77
    Molecular weight:
    18506.33
    General function:
    Involved in glycine N-acyltransferase activity
    Specific function:
    Acyltransferase which transfers an acyl group to the N-terminus of glutamine. Can use phenylacetyl-CoA as an acyl donor.
    Gene Name:
    GLYATL1
    Uniprot ID:
    Q969I3
    Molecular weight:
    35100.895
    General function:
    Involved in glycine N-acyltransferase activity
    Specific function:
    Mitochondrial acyltransferase which transfers the acyl group to the N-terminus of glycine. Conjugates numerous substrates, such as arachidonoyl-CoA and saturated medium and long-chain acyl-CoAs ranging from chain-length C8:0-CoA to C18:0-CoA, to form a variety of N-acylglycines. Shows a preference for monounsaturated fatty acid oleoyl-CoA (C18:1-CoA) as an acyl donor. Does not exhibit any activity toward C22:6-CoA and chenodeoxycholoyl-CoA, nor toward serine or alanine.
    Gene Name:
    GLYATL2
    Uniprot ID:
    Q8WU03
    Molecular weight:
    34277.055
    General function:
    Involved in glycine N-acyltransferase activity
    Specific function:
    Acyltransferase which transfers the acyl group to the N- terminus of glycine
    Gene Name:
    GLYATL3
    Uniprot ID:
    Q5SZD4
    Molecular weight:
    32703.3

    PMID: 26756551

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