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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2006-12-19 16:05:52 UTC
Update Date2021-09-14 15:47:52 UTC
HMDB IDHMDB0005767
Secondary Accession Numbers
  • HMDB05767
Metabolite Identification
Common NameHomoanserine
DescriptionHomoanserine belongs to the class of organic compounds known as hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond. Homoanserine has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make homoanserine a potential biomarker for the consumption of these foods. Based on a literature review a small amount of articles have been published on Homoanserine.
Structure
Data?1582752363
Synonyms
ValueSource
L-N-(4-Aminobutyryl)-3-methyl-histidineHMDB
N-(4-amino-1-Oxobutyl)-3-methyl-L-histidineHMDB
N-(4-Aminobutyryl)-1-methyl-imidazole-5-alanineHMDB
(2S)-2-[(4-Amino-1-hydroxybutylidene)amino]-3-(1-methyl-1H-imidazol-5-yl)propanoateGenerator, HMDB
Chemical FormulaC11H18N4O3
Average Molecular Weight254.2856
Monoisotopic Molecular Weight254.137890462
IUPAC Name(2S)-2-(4-aminobutanamido)-3-(1-methyl-1H-imidazol-5-yl)propanoic acid
Traditional Name(2S)-2-(4-aminobutanamido)-3-(3-methylimidazol-4-yl)propanoic acid
CAS Registry Number20314-38-9
SMILES
CN1C=NC=C1C[C@H](NC(=O)CCCN)C(O)=O
InChI Identifier
InChI=1S/C11H18N4O3/c1-15-7-13-6-8(15)5-9(11(17)18)14-10(16)3-2-4-12/h6-7,9H,2-5,12H2,1H3,(H,14,16)(H,17,18)/t9-/m0/s1
InChI KeyHXBKNURIXGGFCX-VIFPVBQESA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassPeptidomimetics
Sub ClassHybrid peptides
Direct ParentHybrid peptides
Alternative Parents
Substituents
  • Hybrid peptide
  • Histidine or derivatives
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • N-acyl-l-alpha-amino acid
  • Gamma amino acid or derivatives
  • Alpha-amino acid or derivatives
  • Imidazolyl carboxylic acid derivative
  • Fatty amide
  • N-acyl-amine
  • N-substituted imidazole
  • Fatty acyl
  • Heteroaromatic compound
  • Azole
  • Imidazole
  • Secondary carboxylic acid amide
  • Carboxamide group
  • Amino acid
  • Amino acid or derivatives
  • Organoheterocyclic compound
  • Monocarboxylic acid or derivatives
  • Azacycle
  • Carboxylic acid derivative
  • Carboxylic acid
  • Organonitrogen compound
  • Organopnictogen compound
  • Organic oxygen compound
  • Organic nitrogen compound
  • Organooxygen compound
  • Organic oxide
  • Primary aliphatic amine
  • Carbonyl group
  • Primary amine
  • Hydrocarbon derivative
  • Amine
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility3.19 g/LALOGPS
logP-2.8ALOGPS
logP-4ChemAxon
logS-1.9ALOGPS
pKa (Strongest Acidic)3.52ChemAxon
pKa (Strongest Basic)9.99ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area110.24 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity65.21 m³·mol⁻¹ChemAxon
Polarizability26.24 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+159.29231661259
DarkChem[M-H]-158.41731661259
DeepCCS[M+H]+155.0530932474
DeepCCS[M-H]-152.66530932474
DeepCCS[M-2H]-185.77930932474
DeepCCS[M+Na]+161.11630932474
AllCCS[M+H]+158.432859911
AllCCS[M+H-H2O]+155.032859911
AllCCS[M+NH4]+161.532859911
AllCCS[M+Na]+162.432859911
AllCCS[M-H]-159.432859911
AllCCS[M+Na-2H]-159.832859911
AllCCS[M+HCOO]-160.332859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
HomoanserineCN1C=NC=C1C[C@H](NC(=O)CCCN)C(O)=O3341.6Standard polar33892256
HomoanserineCN1C=NC=C1C[C@H](NC(=O)CCCN)C(O)=O2471.7Standard non polar33892256
HomoanserineCN1C=NC=C1C[C@H](NC(=O)CCCN)C(O)=O2492.4Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Homoanserine,1TMS,isomer #1CN1C=NC=C1C[C@H](NC(=O)CCCN)C(=O)O[Si](C)(C)C2451.8Semi standard non polar33892256
Homoanserine,1TMS,isomer #2CN1C=NC=C1C[C@H](NC(=O)CCCN[Si](C)(C)C)C(=O)O2606.4Semi standard non polar33892256
Homoanserine,1TMS,isomer #3CN1C=NC=C1C[C@@H](C(=O)O)N(C(=O)CCCN)[Si](C)(C)C2386.7Semi standard non polar33892256
Homoanserine,2TMS,isomer #1CN1C=NC=C1C[C@H](NC(=O)CCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C2595.4Semi standard non polar33892256
Homoanserine,2TMS,isomer #1CN1C=NC=C1C[C@H](NC(=O)CCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C2434.0Standard non polar33892256
Homoanserine,2TMS,isomer #1CN1C=NC=C1C[C@H](NC(=O)CCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C3361.4Standard polar33892256
Homoanserine,2TMS,isomer #2CN1C=NC=C1C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CCCN)[Si](C)(C)C2389.8Semi standard non polar33892256
Homoanserine,2TMS,isomer #2CN1C=NC=C1C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CCCN)[Si](C)(C)C2388.4Standard non polar33892256
Homoanserine,2TMS,isomer #2CN1C=NC=C1C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CCCN)[Si](C)(C)C3644.6Standard polar33892256
Homoanserine,2TMS,isomer #3CN1C=NC=C1C[C@@H](C(=O)O)N(C(=O)CCCN[Si](C)(C)C)[Si](C)(C)C2487.7Semi standard non polar33892256
Homoanserine,2TMS,isomer #3CN1C=NC=C1C[C@@H](C(=O)O)N(C(=O)CCCN[Si](C)(C)C)[Si](C)(C)C2498.2Standard non polar33892256
Homoanserine,2TMS,isomer #3CN1C=NC=C1C[C@@H](C(=O)O)N(C(=O)CCCN[Si](C)(C)C)[Si](C)(C)C3418.5Standard polar33892256
Homoanserine,2TMS,isomer #4CN1C=NC=C1C[C@H](NC(=O)CCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O2751.3Semi standard non polar33892256
Homoanserine,2TMS,isomer #4CN1C=NC=C1C[C@H](NC(=O)CCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O2601.3Standard non polar33892256
Homoanserine,2TMS,isomer #4CN1C=NC=C1C[C@H](NC(=O)CCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O3596.8Standard polar33892256
Homoanserine,3TMS,isomer #1CN1C=NC=C1C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CCCN[Si](C)(C)C)[Si](C)(C)C2496.1Semi standard non polar33892256
Homoanserine,3TMS,isomer #1CN1C=NC=C1C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CCCN[Si](C)(C)C)[Si](C)(C)C2494.5Standard non polar33892256
Homoanserine,3TMS,isomer #1CN1C=NC=C1C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CCCN[Si](C)(C)C)[Si](C)(C)C3027.5Standard polar33892256
Homoanserine,3TMS,isomer #2CN1C=NC=C1C[C@H](NC(=O)CCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2745.2Semi standard non polar33892256
Homoanserine,3TMS,isomer #2CN1C=NC=C1C[C@H](NC(=O)CCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2550.6Standard non polar33892256
Homoanserine,3TMS,isomer #2CN1C=NC=C1C[C@H](NC(=O)CCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C3162.9Standard polar33892256
Homoanserine,3TMS,isomer #3CN1C=NC=C1C[C@@H](C(=O)O)N(C(=O)CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2665.7Semi standard non polar33892256
Homoanserine,3TMS,isomer #3CN1C=NC=C1C[C@@H](C(=O)O)N(C(=O)CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2634.9Standard non polar33892256
Homoanserine,3TMS,isomer #3CN1C=NC=C1C[C@@H](C(=O)O)N(C(=O)CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3218.6Standard polar33892256
Homoanserine,4TMS,isomer #1CN1C=NC=C1C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2680.4Semi standard non polar33892256
Homoanserine,4TMS,isomer #1CN1C=NC=C1C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2615.5Standard non polar33892256
Homoanserine,4TMS,isomer #1CN1C=NC=C1C[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2884.8Standard polar33892256
Homoanserine,1TBDMS,isomer #1CN1C=NC=C1C[C@H](NC(=O)CCCN)C(=O)O[Si](C)(C)C(C)(C)C2719.4Semi standard non polar33892256
Homoanserine,1TBDMS,isomer #2CN1C=NC=C1C[C@H](NC(=O)CCCN[Si](C)(C)C(C)(C)C)C(=O)O2846.7Semi standard non polar33892256
Homoanserine,1TBDMS,isomer #3CN1C=NC=C1C[C@@H](C(=O)O)N(C(=O)CCCN)[Si](C)(C)C(C)(C)C2650.1Semi standard non polar33892256
Homoanserine,2TBDMS,isomer #1CN1C=NC=C1C[C@H](NC(=O)CCCN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3059.1Semi standard non polar33892256
Homoanserine,2TBDMS,isomer #1CN1C=NC=C1C[C@H](NC(=O)CCCN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2824.9Standard non polar33892256
Homoanserine,2TBDMS,isomer #1CN1C=NC=C1C[C@H](NC(=O)CCCN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3378.9Standard polar33892256
Homoanserine,2TBDMS,isomer #2CN1C=NC=C1C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCCN)[Si](C)(C)C(C)(C)C2890.5Semi standard non polar33892256
Homoanserine,2TBDMS,isomer #2CN1C=NC=C1C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCCN)[Si](C)(C)C(C)(C)C2805.3Standard non polar33892256
Homoanserine,2TBDMS,isomer #2CN1C=NC=C1C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCCN)[Si](C)(C)C(C)(C)C3590.9Standard polar33892256
Homoanserine,2TBDMS,isomer #3CN1C=NC=C1C[C@@H](C(=O)O)N(C(=O)CCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3013.1Semi standard non polar33892256
Homoanserine,2TBDMS,isomer #3CN1C=NC=C1C[C@@H](C(=O)O)N(C(=O)CCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2869.3Standard non polar33892256
Homoanserine,2TBDMS,isomer #3CN1C=NC=C1C[C@@H](C(=O)O)N(C(=O)CCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3409.0Standard polar33892256
Homoanserine,2TBDMS,isomer #4CN1C=NC=C1C[C@H](NC(=O)CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3187.5Semi standard non polar33892256
Homoanserine,2TBDMS,isomer #4CN1C=NC=C1C[C@H](NC(=O)CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2960.9Standard non polar33892256
Homoanserine,2TBDMS,isomer #4CN1C=NC=C1C[C@H](NC(=O)CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3564.0Standard polar33892256
Homoanserine,3TBDMS,isomer #1CN1C=NC=C1C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3187.6Semi standard non polar33892256
Homoanserine,3TBDMS,isomer #1CN1C=NC=C1C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3041.5Standard non polar33892256
Homoanserine,3TBDMS,isomer #1CN1C=NC=C1C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3217.4Standard polar33892256
Homoanserine,3TBDMS,isomer #2CN1C=NC=C1C[C@H](NC(=O)CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3398.9Semi standard non polar33892256
Homoanserine,3TBDMS,isomer #2CN1C=NC=C1C[C@H](NC(=O)CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3126.1Standard non polar33892256
Homoanserine,3TBDMS,isomer #2CN1C=NC=C1C[C@H](NC(=O)CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3294.7Standard polar33892256
Homoanserine,3TBDMS,isomer #3CN1C=NC=C1C[C@@H](C(=O)O)N(C(=O)CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3350.9Semi standard non polar33892256
Homoanserine,3TBDMS,isomer #3CN1C=NC=C1C[C@@H](C(=O)O)N(C(=O)CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3169.0Standard non polar33892256
Homoanserine,3TBDMS,isomer #3CN1C=NC=C1C[C@@H](C(=O)O)N(C(=O)CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3334.1Standard polar33892256
Homoanserine,4TBDMS,isomer #1CN1C=NC=C1C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3522.9Semi standard non polar33892256
Homoanserine,4TBDMS,isomer #1CN1C=NC=C1C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3292.8Standard non polar33892256
Homoanserine,4TBDMS,isomer #1CN1C=NC=C1C[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3186.5Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Homoanserine GC-MS (Non-derivatized) - 70eV, Positivesplash10-053r-9120000000-c0689e57c6ec53c2e5972017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Homoanserine GC-MS (1 TMS) - 70eV, Positivesplash10-00di-9720000000-c14e517b33cc2655eb942017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Homoanserine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Homoanserine 10V, Positive-QTOFsplash10-052r-1290000000-1f1ab504467a3c930add2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Homoanserine 20V, Positive-QTOFsplash10-00dr-5940000000-492142f7755fb16b7ae92017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Homoanserine 40V, Positive-QTOFsplash10-0596-9500000000-01c7cab0f39bf390066f2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Homoanserine 10V, Negative-QTOFsplash10-0udi-0090000000-cd2b55a04c9a5c2996322017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Homoanserine 20V, Negative-QTOFsplash10-0zfr-3980000000-566caaf49a2f490f6cec2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Homoanserine 40V, Negative-QTOFsplash10-0udl-9600000000-f0d3bbd19cbdf23bd2112017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Homoanserine 10V, Negative-QTOFsplash10-0udi-1490000000-41844943caffb48ce7282021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Homoanserine 20V, Negative-QTOFsplash10-0pb9-2910000000-ff3a7ab74c09c1493cb92021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Homoanserine 40V, Negative-QTOFsplash10-005c-7900000000-d8e35a91d4b2eaa357642021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Homoanserine 10V, Positive-QTOFsplash10-0a4i-0190000000-693364a726a119cf91a22021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Homoanserine 20V, Positive-QTOFsplash10-00di-2920000000-c88e776c372beaaa24ed2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Homoanserine 40V, Positive-QTOFsplash10-0a4i-8900000000-59b20bc0c1234f90dbb72021-09-23Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB023757
KNApSAcK IDNot Available
Chemspider ID17216339
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound20849429
PDB IDNot Available
ChEBI ID172495
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Kunze N, Kleinkauf H, Bauer K: Characterization of two carnosine-degrading enzymes from rat brain. Partial purification and characterization of a carnosinase and a beta-alanyl-arginine hydrolase. Eur J Biochem. 1986 Nov 3;160(3):605-13. [PubMed:3780724 ]
  2. Nakajima T, Wolfgram F, Clark WG: The isolation of homoanserine from bovine brain. J Neurochem. 1967 Dec;14(12):1107-12. [PubMed:6078589 ]
  3. Bauer K, Schulz M: Biosynthesis of carnosine and related peptides by skeletal muscle cells in primary culture. Eur J Biochem. 1994 Jan 15;219(1-2):43-7. [PubMed:8307008 ]