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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2012-09-06 21:02:43 UTC
Update Date2021-09-14 15:43:51 UTC
HMDB IDHMDB0028844
Secondary Accession Numbers
  • HMDB28844
Metabolite Identification
Common NameGlycyl-Isoleucine
DescriptionGlycyl-Isoleucine is a dipeptide composed of glycine and isoleucine. 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
Data?1582753347
Synonyms
ValueSource
g-I dipeptideHMDB
GI dipeptideHMDB
Gly-ileHMDB
Glycine isoleucine dipeptideHMDB
Glycine-isoleucine dipeptideHMDB
GlycylisoleucineHMDB
L-Glycyl-L-isoleucineHMDB
2-[(2-Amino-1-hydroxyethylidene)amino]-3-methylpentanoateHMDB
Chemical FormulaC8H16N2O3
Average Molecular Weight188.2242
Monoisotopic Molecular Weight188.116092388
IUPAC Name2-[(2-amino-1-hydroxyethylidene)amino]-3-methylpentanoic acid
Traditional Name2-[(2-amino-1-hydroxyethylidene)amino]-3-methylpentanoic acid
CAS Registry NumberNot Available
SMILES
CCC(C)C(N=C(O)CN)C(O)=O
InChI Identifier
InChI=1S/C8H16N2O3/c1-3-5(2)7(8(12)13)10-6(11)4-9/h5,7H,3-4,9H2,1-2H3,(H,10,11)(H,12,13)
InChI KeyKGVHCTWYMPWEGN-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentDipeptides
Alternative Parents
Substituents
  • Alpha-dipeptide
  • Isoleucine or derivatives
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid amide
  • Alpha-amino acid or derivatives
  • Branched fatty acid
  • Methyl-branched fatty acid
  • Fatty acyl
  • Fatty acid
  • Amino acid or derivatives
  • Carboxamide group
  • Amino acid
  • Secondary carboxylic acid amide
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Organonitrogen compound
  • Organic oxygen compound
  • Organic oxide
  • Primary aliphatic amine
  • Organic nitrogen compound
  • Carbonyl group
  • Organopnictogen compound
  • Organooxygen compound
  • Primary amine
  • Amine
  • Hydrocarbon derivative
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
Disposition

Biological location

Source

Route of exposure

Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogP-2.62Extrapolated
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility20.5 g/LALOGPS
logP10(-2.2) g/LALOGPS
logP10(-2) g/LChemAxon
logS10(-1.7) g/LALOGPS
pKa (Strongest Acidic)3.7ChemAxon
pKa (Strongest Basic)9.33ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area95.91 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity47.42 m³·mol⁻¹ChemAxon
Polarizability19.75 ųChemAxon
Number of Rings0ChemAxon
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]+143.07131661259
DarkChem[M-H]-140.9931661259

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Glycyl-IsoleucineCCC(C)C(N=C(O)CN)C(O)=O2384.5Standard polar33892256
Glycyl-IsoleucineCCC(C)C(N=C(O)CN)C(O)=O1649.1Standard non polar33892256
Glycyl-IsoleucineCCC(C)C(N=C(O)CN)C(O)=O1727.5Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Glycyl-Isoleucine,1TMS,isomer #1CCC(C)C(N=C(CN)O[Si](C)(C)C)C(=O)O1703.6Semi standard non polar33892256
Glycyl-Isoleucine,1TMS,isomer #2CCC(C)C(N=C(O)CN)C(=O)O[Si](C)(C)C1705.1Semi standard non polar33892256
Glycyl-Isoleucine,1TMS,isomer #3CCC(C)C(N=C(O)CN[Si](C)(C)C)C(=O)O1797.4Semi standard non polar33892256
Glycyl-Isoleucine,2TMS,isomer #1CCC(C)C(N=C(CN)O[Si](C)(C)C)C(=O)O[Si](C)(C)C1737.4Semi standard non polar33892256
Glycyl-Isoleucine,2TMS,isomer #2CCC(C)C(N=C(CN[Si](C)(C)C)O[Si](C)(C)C)C(=O)O1788.1Semi standard non polar33892256
Glycyl-Isoleucine,2TMS,isomer #3CCC(C)C(N=C(O)CN[Si](C)(C)C)C(=O)O[Si](C)(C)C1796.7Semi standard non polar33892256
Glycyl-Isoleucine,2TMS,isomer #4CCC(C)C(N=C(O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)O1944.5Semi standard non polar33892256
Glycyl-Isoleucine,3TMS,isomer #1CCC(C)C(N=C(CN[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C1785.0Semi standard non polar33892256
Glycyl-Isoleucine,3TMS,isomer #1CCC(C)C(N=C(CN[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C1761.2Standard non polar33892256
Glycyl-Isoleucine,3TMS,isomer #2CCC(C)C(N=C(CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O1974.4Semi standard non polar33892256
Glycyl-Isoleucine,3TMS,isomer #2CCC(C)C(N=C(CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O1839.1Standard non polar33892256
Glycyl-Isoleucine,3TMS,isomer #3CCC(C)C(N=C(O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C1950.2Semi standard non polar33892256
Glycyl-Isoleucine,3TMS,isomer #3CCC(C)C(N=C(O)CN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C1852.2Standard non polar33892256
Glycyl-Isoleucine,4TMS,isomer #1CCC(C)C(N=C(CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C1999.9Semi standard non polar33892256
Glycyl-Isoleucine,4TMS,isomer #1CCC(C)C(N=C(CN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C1882.3Standard non polar33892256
Glycyl-Isoleucine,1TBDMS,isomer #1CCC(C)C(N=C(CN)O[Si](C)(C)C(C)(C)C)C(=O)O1962.8Semi standard non polar33892256
Glycyl-Isoleucine,1TBDMS,isomer #2CCC(C)C(N=C(O)CN)C(=O)O[Si](C)(C)C(C)(C)C1927.6Semi standard non polar33892256
Glycyl-Isoleucine,1TBDMS,isomer #3CCC(C)C(N=C(O)CN[Si](C)(C)C(C)(C)C)C(=O)O2020.8Semi standard non polar33892256
Glycyl-Isoleucine,2TBDMS,isomer #1CCC(C)C(N=C(CN)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2138.4Semi standard non polar33892256
Glycyl-Isoleucine,2TBDMS,isomer #2CCC(C)C(N=C(CN[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O2224.1Semi standard non polar33892256
Glycyl-Isoleucine,2TBDMS,isomer #3CCC(C)C(N=C(O)CN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2213.0Semi standard non polar33892256
Glycyl-Isoleucine,2TBDMS,isomer #4CCC(C)C(N=C(O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2317.7Semi standard non polar33892256
Glycyl-Isoleucine,3TBDMS,isomer #1CCC(C)C(N=C(CN[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2374.9Semi standard non polar33892256
Glycyl-Isoleucine,3TBDMS,isomer #1CCC(C)C(N=C(CN[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2259.2Standard non polar33892256
Glycyl-Isoleucine,3TBDMS,isomer #2CCC(C)C(N=C(CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O2581.9Semi standard non polar33892256
Glycyl-Isoleucine,3TBDMS,isomer #2CCC(C)C(N=C(CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O2334.5Standard non polar33892256
Glycyl-Isoleucine,3TBDMS,isomer #3CCC(C)C(N=C(O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2548.6Semi standard non polar33892256
Glycyl-Isoleucine,3TBDMS,isomer #3CCC(C)C(N=C(O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2411.3Standard non polar33892256
Glycyl-Isoleucine,4TBDMS,isomer #1CCC(C)C(N=C(CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2802.2Semi standard non polar33892256
Glycyl-Isoleucine,4TBDMS,isomer #1CCC(C)C(N=C(CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2574.4Standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-Isoleucine GC-MS (Non-derivatized) - 70eV, Positivesplash10-0a59-9100000000-9c647107deed5af4492f2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-Isoleucine GC-MS (1 TMS) - 70eV, Positivesplash10-053r-9100000000-d279f5718e9f8d48aca12017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-Isoleucine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-Isoleucine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-Isoleucine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-Isoleucine GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-Isoleucine GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-Isoleucine GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-Isoleucine GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-Isoleucine GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-Isoleucine GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-Isoleucine GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-Isoleucine GC-MS (TBDMS_1_1) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-Isoleucine GC-MS (TBDMS_1_2) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-Isoleucine GC-MS (TBDMS_1_3) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-Isoleucine GC-MS (TBDMS_2_1) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-Isoleucine GC-MS (TBDMS_2_2) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-Isoleucine GC-MS (TBDMS_2_3) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycyl-Isoleucine GC-MS (TBDMS_2_4) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Glycyl-Isoleucine 35V, Positive-QTOFsplash10-000i-9000000000-679dfc19e16aa17ee53f2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Glycyl-Isoleucine 35V, Negative-QTOFsplash10-001i-1900000000-3eb2a749181db44d90e02021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-Isoleucine 10V, Positive-QTOFsplash10-0083-4900000000-726e0375f6fe967183332017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-Isoleucine 20V, Positive-QTOFsplash10-0540-9200000000-6a8f912ec890d1c682362017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-Isoleucine 40V, Positive-QTOFsplash10-053r-9000000000-d0beacb1ff970fd1b0e02017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-Isoleucine 10V, Negative-QTOFsplash10-000i-0900000000-675c643d7c6adcbb07772017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-Isoleucine 20V, Negative-QTOFsplash10-000l-2900000000-ded8fa2be3ebc397c5912017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-Isoleucine 40V, Negative-QTOFsplash10-059x-9200000000-20b8f643a679a45e560a2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-Isoleucine 10V, Positive-QTOFsplash10-000i-0900000000-634043492308cc21320f2021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-Isoleucine 20V, Positive-QTOFsplash10-001i-9700000000-758ed2c0566da5ecbd5e2021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-Isoleucine 40V, Positive-QTOFsplash10-0a4i-9000000000-cae25c6f39d13e82fb6c2021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-Isoleucine 10V, Negative-QTOFsplash10-053r-7900000000-ac9c19dd6433e32e45502021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-Isoleucine 20V, Negative-QTOFsplash10-0a4i-9200000000-5eb879b3925ac1fe3b512021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycyl-Isoleucine 40V, Negative-QTOFsplash10-052f-9100000000-7e8c8edb411fce913d372021-10-11Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Feces
  • Saliva
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
FecesDetected but not QuantifiedNot QuantifiedNot SpecifiedBoth
Normal
details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal
details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal
details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal
details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal
details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal
details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal
details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal
details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal
details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal
details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal
details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothColorectal Cancer details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Colorectal cancer
details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Colorectal cancer
details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)MalePeriodontal Probing Depth details
Associated Disorders and Diseases
Disease References
Colorectal cancer
  1. Brown DG, Rao S, Weir TL, O'Malia J, Bazan M, Brown RJ, Ryan EP: Metabolomics and metabolic pathway networks from human colorectal cancers, adjacent mucosa, and stool. Cancer Metab. 2016 Jun 6;4:11. doi: 10.1186/s40170-016-0151-y. eCollection 2016. [PubMed:27275383 ]
  2. Sinha R, Ahn J, Sampson JN, Shi J, Yu G, Xiong X, Hayes RB, Goedert JJ: Fecal Microbiota, Fecal Metabolome, and Colorectal Cancer Interrelations. PLoS One. 2016 Mar 25;11(3):e0152126. doi: 10.1371/journal.pone.0152126. eCollection 2016. [PubMed:27015276 ]
  3. Goedert JJ, Sampson JN, Moore SC, Xiao Q, Xiong X, Hayes RB, Ahn J, Shi J, Sinha R: Fecal metabolomics: assay performance and association with colorectal cancer. Carcinogenesis. 2014 Sep;35(9):2089-96. doi: 10.1093/carcin/bgu131. Epub 2014 Jul 18. [PubMed:25037050 ]
Periodontal Probing Depth
  1. Liebsch C, Pitchika V, Pink C, Samietz S, Kastenmuller G, Artati A, Suhre K, Adamski J, Nauck M, Volzke H, Friedrich N, Kocher T, Holtfreter B, Pietzner M: The Saliva Metabolome in Association to Oral Health Status. J Dent Res. 2019 Jun;98(6):642-651. doi: 10.1177/0022034519842853. Epub 2019 Apr 26. [PubMed:31026179 ]
Associated OMIM IDs
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB098410
KNApSAcK IDNot Available
Chemspider ID227861
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound259613
PDB IDNot Available
ChEBI IDNot Available
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. Nath M, Pokharia S, Eng G, Song X, Kumar A: New triorganotin (IV) derivatives of dipeptides as models for metal-protein interactions: synthesis, structural characterization and biological studies. Spectrochim Acta A Mol Biomol Spectrosc. 2006 Jan;63(1):66-75. Epub 2005 Jun 9. [PubMed:15950528 ]
  2. Suh HJ, Lee HK: Characterization of a keratinolytic serine protease from Bacillus subtilis KS-1. J Protein Chem. 2001 Feb;20(2):165-9. [PubMed:11563697 ]
  3. Steinberg S, Bada JL: Diketopiperazine formation during investigations of amino Acid racemization in dipeptides. Science. 1981 Jul 31;213(4507):544-5. [PubMed:17794841 ]
  4. Steininger R, Karner J, Roth E, Langer K: Infusion of dipeptides as nutritional substrates for glutamine, tyrosine, and branched-chain amino acids in patients with acute pancreatitis. Metabolism. 1989 Aug;38(8 Suppl 1):78-81. [PubMed:2503685 ]
  5. Guardiola J, De Felice M, Klopotowski T, Iaccarino M: Mutations affecting the different transport systems for isoleucine, leucine, and valine in Escherichia coli K-12. J Bacteriol. 1974 Feb;117(2):393-405. [PubMed:4590465 ]