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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-06 21:03:27 UTC
Update Date2023-02-21 17:18:37 UTC
HMDB IDHMDB0029039
Secondary Accession Numbers
  • HMDB29039
Metabolite Identification
Common NameSerylglycine
DescriptionSerylglycine, also known as L-ser-gly or SG, 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. Serylglycine has been detected, but not quantified in, several different foods, such as maitakes (Grifola frondosa), small-leaf lindens (Tilia cordata), calabashes (Lagenaria siceraria), spelts (Triticum spelta), and cumins (Cuminum cyminum). This could make serylglycine a potential biomarker for the consumption of these foods. Serylglycine is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review a small amount of articles have been published on Serylglycine.
Structure
Data?1676999917
Synonyms
ValueSource
L-Ser-glyChEBI
Serinyl-glycineChEBI
SGChEBI
L-SerylglycineHMDB
N-L-SerylglycineHMDB
N-SerylglycineHMDB
NSC 88482HMDB
S-g DipeptideHMDB
SG DipeptideHMDB
Ser-glyHMDB
Serine glycine dipeptideHMDB
Serine-glycine dipeptideHMDB
SerinylglycineHMDB
Seryl-glycineHMDB
Chemical FormulaC5H10N2O4
Average Molecular Weight162.145
Monoisotopic Molecular Weight162.06405681
IUPAC Name2-[(2S)-2-amino-3-hydroxypropanamido]acetic acid
Traditional Name[(2S)-2-amino-3-hydroxypropanamido]acetic acid
CAS Registry Number687-63-8
SMILES
N[C@@H](CO)C(=O)NCC(O)=O
InChI Identifier
InChI=1S/C5H10N2O4/c6-3(2-8)5(11)7-1-4(9)10/h3,8H,1-2,6H2,(H,7,11)(H,9,10)/t3-/m0/s1
InChI KeyWOUIMBGNEUWXQG-VKHMYHEASA-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
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid amide
  • Serine or derivatives
  • Alpha-amino acid or derivatives
  • Amino acid or derivatives
  • Carboxamide group
  • Amino acid
  • Carboxylic acid salt
  • Secondary carboxylic acid amide
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Alcohol
  • Organooxygen compound
  • Organonitrogen compound
  • Primary alcohol
  • Primary amine
  • Organic zwitterion
  • Primary aliphatic amine
  • Organic salt
  • Hydrocarbon derivative
  • Organic oxide
  • Carbonyl group
  • Organopnictogen compound
  • Amine
  • Organic oxygen compound
  • Organic nitrogen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Source
Process
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogP-5.0Extrapolated
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility74.7 g/LALOGPS
logP-3.3ALOGPS
logP-5ChemAxon
logS-0.34ALOGPS
pKa (Strongest Acidic)3.44ChemAxon
pKa (Strongest Basic)7.85ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area112.65 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity34.84 m³·mol⁻¹ChemAxon
Polarizability14.87 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
DeepCCS[M+H]+132.14130932474
DeepCCS[M-H]-128.68130932474
DeepCCS[M-2H]-165.9930932474
DeepCCS[M+Na]+141.52830932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
SerylglycineN[C@@H](CO)C(=O)NCC(O)=O2623.0Standard polar33892256
SerylglycineN[C@@H](CO)C(=O)NCC(O)=O1563.1Standard non polar33892256
SerylglycineN[C@@H](CO)C(=O)NCC(O)=O1935.5Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Serylglycine,1TMS,isomer #1C[Si](C)(C)OC[C@H](N)C(=O)NCC(=O)O1703.7Semi standard non polar33892256
Serylglycine,1TMS,isomer #2C[Si](C)(C)OC(=O)CNC(=O)[C@@H](N)CO1732.6Semi standard non polar33892256
Serylglycine,1TMS,isomer #3C[Si](C)(C)N[C@@H](CO)C(=O)NCC(=O)O1746.8Semi standard non polar33892256
Serylglycine,1TMS,isomer #4C[Si](C)(C)N(CC(=O)O)C(=O)[C@@H](N)CO1728.4Semi standard non polar33892256
Serylglycine,2TMS,isomer #1C[Si](C)(C)OC[C@H](N)C(=O)NCC(=O)O[Si](C)(C)C1773.7Semi standard non polar33892256
Serylglycine,2TMS,isomer #2C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)NCC(=O)O1782.0Semi standard non polar33892256
Serylglycine,2TMS,isomer #3C[Si](C)(C)OC[C@H](N)C(=O)N(CC(=O)O)[Si](C)(C)C1727.3Semi standard non polar33892256
Serylglycine,2TMS,isomer #4C[Si](C)(C)N[C@@H](CO)C(=O)NCC(=O)O[Si](C)(C)C1825.8Semi standard non polar33892256
Serylglycine,2TMS,isomer #5C[Si](C)(C)OC(=O)CN(C(=O)[C@@H](N)CO)[Si](C)(C)C1721.4Semi standard non polar33892256
Serylglycine,2TMS,isomer #6C[Si](C)(C)N([C@@H](CO)C(=O)NCC(=O)O)[Si](C)(C)C1896.6Semi standard non polar33892256
Serylglycine,2TMS,isomer #7C[Si](C)(C)N[C@@H](CO)C(=O)N(CC(=O)O)[Si](C)(C)C1802.6Semi standard non polar33892256
Serylglycine,3TMS,isomer #1C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C1829.0Semi standard non polar33892256
Serylglycine,3TMS,isomer #1C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C1854.0Standard non polar33892256
Serylglycine,3TMS,isomer #2C[Si](C)(C)OC[C@H](N)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C1761.4Semi standard non polar33892256
Serylglycine,3TMS,isomer #2C[Si](C)(C)OC[C@H](N)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C1853.5Standard non polar33892256
Serylglycine,3TMS,isomer #3C[Si](C)(C)OC[C@@H](C(=O)NCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C1940.9Semi standard non polar33892256
Serylglycine,3TMS,isomer #3C[Si](C)(C)OC[C@@H](C(=O)NCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C1878.5Standard non polar33892256
Serylglycine,3TMS,isomer #4C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C1810.2Semi standard non polar33892256
Serylglycine,3TMS,isomer #4C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C1883.9Standard non polar33892256
Serylglycine,3TMS,isomer #5C[Si](C)(C)OC(=O)CNC(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C1942.3Semi standard non polar33892256
Serylglycine,3TMS,isomer #5C[Si](C)(C)OC(=O)CNC(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C1863.3Standard non polar33892256
Serylglycine,3TMS,isomer #6C[Si](C)(C)N[C@@H](CO)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C1799.1Semi standard non polar33892256
Serylglycine,3TMS,isomer #6C[Si](C)(C)N[C@@H](CO)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C1813.0Standard non polar33892256
Serylglycine,3TMS,isomer #7C[Si](C)(C)N(CC(=O)O)C(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C1898.0Semi standard non polar33892256
Serylglycine,3TMS,isomer #7C[Si](C)(C)N(CC(=O)O)C(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C1901.2Standard non polar33892256
Serylglycine,4TMS,isomer #1C[Si](C)(C)OC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1948.3Semi standard non polar33892256
Serylglycine,4TMS,isomer #1C[Si](C)(C)OC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1949.7Standard non polar33892256
Serylglycine,4TMS,isomer #2C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C1839.8Semi standard non polar33892256
Serylglycine,4TMS,isomer #2C[Si](C)(C)N[C@@H](CO[Si](C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C1910.4Standard non polar33892256
Serylglycine,4TMS,isomer #3C[Si](C)(C)OC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1957.9Semi standard non polar33892256
Serylglycine,4TMS,isomer #3C[Si](C)(C)OC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1978.2Standard non polar33892256
Serylglycine,4TMS,isomer #4C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C1928.5Semi standard non polar33892256
Serylglycine,4TMS,isomer #4C[Si](C)(C)OC(=O)CN(C(=O)[C@H](CO)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C1947.1Standard non polar33892256
Serylglycine,5TMS,isomer #1C[Si](C)(C)OC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2025.6Semi standard non polar33892256
Serylglycine,5TMS,isomer #1C[Si](C)(C)OC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2020.3Standard non polar33892256
Serylglycine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)NCC(=O)O1976.7Semi standard non polar33892256
Serylglycine,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@@H](N)CO1980.5Semi standard non polar33892256
Serylglycine,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)NCC(=O)O2029.9Semi standard non polar33892256
Serylglycine,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)[C@@H](N)CO1989.4Semi standard non polar33892256
Serylglycine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C2241.3Semi standard non polar33892256
Serylglycine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O2249.8Semi standard non polar33892256
Serylglycine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C2220.5Semi standard non polar33892256
Serylglycine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C2288.6Semi standard non polar33892256
Serylglycine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)[C@@H](N)CO)[Si](C)(C)C(C)(C)C2214.9Semi standard non polar33892256
Serylglycine,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)N([C@@H](CO)C(=O)NCC(=O)O)[Si](C)(C)C(C)(C)C2395.1Semi standard non polar33892256
Serylglycine,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C2289.9Semi standard non polar33892256
Serylglycine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C2461.3Semi standard non polar33892256
Serylglycine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C2430.5Standard non polar33892256
Serylglycine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2427.1Semi standard non polar33892256
Serylglycine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@H](N)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2434.6Standard non polar33892256
Serylglycine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)NCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2617.2Semi standard non polar33892256
Serylglycine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)NCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2456.6Standard non polar33892256
Serylglycine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C2487.6Semi standard non polar33892256
Serylglycine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C2440.9Standard non polar33892256
Serylglycine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2620.9Semi standard non polar33892256
Serylglycine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)CNC(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2460.0Standard non polar33892256
Serylglycine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2501.1Semi standard non polar33892256
Serylglycine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)N[C@@H](CO)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2411.0Standard non polar33892256
Serylglycine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2597.0Semi standard non polar33892256
Serylglycine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)N(CC(=O)O)C(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2484.0Standard non polar33892256
Serylglycine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2833.7Semi standard non polar33892256
Serylglycine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)NCC(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2677.3Standard non polar33892256
Serylglycine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2697.1Semi standard non polar33892256
Serylglycine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)N[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2644.9Standard non polar33892256
Serylglycine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2829.4Semi standard non polar33892256
Serylglycine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)N(CC(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2698.9Standard non polar33892256
Serylglycine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2812.1Semi standard non polar33892256
Serylglycine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)CN(C(=O)[C@H](CO)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2702.9Standard non polar33892256
Serylglycine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3057.8Semi standard non polar33892256
Serylglycine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@@H](C(=O)N(CC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2902.1Standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Serylglycine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Serylglycine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Serylglycine Orbitrap 1V, negative-QTOFsplash10-03di-0900000000-d5c3075acfc0b52d5da62020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Serylglycine Orbitrap 1V, negative-QTOFsplash10-03di-0900000000-b97e39f289be342b9d132020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Serylglycine Orbitrap 1V, negative-QTOFsplash10-03di-0900000000-66a523c33b89e78463472020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Serylglycine Orbitrap 2V, negative-QTOFsplash10-03di-0900000000-7cfcdc802cc66d5470de2020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Serylglycine Orbitrap 2V, negative-QTOFsplash10-03di-0900000000-2b4970df82fe177b180d2020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Serylglycine Orbitrap 2V, negative-QTOFsplash10-03e9-0900000000-f9bac143710659247ae52020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Serylglycine Orbitrap 3V, negative-QTOFsplash10-001i-1900000000-6faf852a50d9e081588c2020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Serylglycine Orbitrap 4V, negative-QTOFsplash10-001i-3900000000-052cc8f0d9780aa961742020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Serylglycine Orbitrap 5V, negative-QTOFsplash10-0089-8900000000-a4b3da001ffec2b656f62020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Serylglycine Orbitrap 6V, negative-QTOFsplash10-00ei-9300000000-e7f9f09a593b727b75222020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Serylglycine Orbitrap 8V, negative-QTOFsplash10-00di-9000000000-585fad608f906ac5a6252020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Serylglycine n/a 11V, negative-QTOFsplash10-001i-0900000000-5475862e3b1a775322d72020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Serylglycine QTOF 10V, positive-QTOFsplash10-03di-9300000000-cb456eebe522c0d725d22020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Serylglycine QTOF 15V, positive-QTOFsplash10-03di-9100000000-65fbf7f9295c3e3812462020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Serylglycine QTOF 20V, positive-QTOFsplash10-03di-9000000000-8e4eee29a51d292ddc762020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Serylglycine QTOF 30V, positive-QTOFsplash10-03di-9000000000-0201872bc593d9ebd3ec2020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Serylglycine QTOF 40V, positive-QTOFsplash10-03dl-9000000000-72d3e817ec31418e68072020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Serylglycine Orbitrap 0V, positive-QTOFsplash10-03di-0900000000-d93f5c8fe2895cd71ffc2020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Serylglycine Orbitrap 0V, positive-QTOFsplash10-03di-0900000000-d8cd3e231dd56ad29e4a2020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Serylglycine Orbitrap 1V, positive-QTOFsplash10-03di-2900000000-8989ab853921cae471832020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Serylglycine Orbitrap 1V, positive-QTOFsplash10-03di-5900000000-654fa041f76b798cb9ed2020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Serylglycine Orbitrap 2V, positive-QTOFsplash10-03di-9700000000-4fa0c7440dd1a9ad90be2020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Serylglycine Orbitrap 2V, positive-QTOFsplash10-03di-9300000000-cd4ffe000d61b6c9c9792020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Serylglycine Orbitrap 3V, positive-QTOFsplash10-03di-9100000000-867843871d5958111a292020-07-22HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Serylglycine Orbitrap 4V, positive-QTOFsplash10-03di-9000000000-fbbb271759d7562010cb2020-07-22HMDB team, MONAView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 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, 200 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, 300 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, 400 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, 500 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, 600 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, 700 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, 800 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, 900 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-16Wishart LabView Spectrum

IR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)2023-02-03FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)2023-02-03FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)2023-02-03FELIX 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 IDFDB112047
KNApSAcK IDNot Available
Chemspider ID5373223
KEGG Compound IDNot Available
BioCyc IDCPD-12607
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound7009643
PDB IDNot Available
ChEBI ID74814
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. Chen WJ, Boehlert CC, Rider K, Armstrong RN: Synthesis and characterization of the oxygen and desthio analogues of glutathione as dead-end inhibitors of glutathione S-transferase. Biochem Biophys Res Commun. 1985 Apr 16;128(1):233-40. [PubMed:3985965 ]
  2. Blagojevic V, Chramow A, Schneider BB, Covey TR, Bohme DK: Differential mobility spectrometry of isomeric protonated dipeptides: modifier and field effects on ion mobility and stability. Anal Chem. 2011 May 1;83(9):3470-6. doi: 10.1021/ac200100s. Epub 2011 Apr 19. [PubMed:21504141 ]
  3. Ho PH, Stroobants K, Parac-Vogt TN: Hydrolysis of serine-containing peptides at neutral pH promoted by [MoO4]2- oxyanion. Inorg Chem. 2011 Dec 5;50(23):12025-33. doi: 10.1021/ic2015034. Epub 2011 Oct 31. [PubMed:22040112 ]
  4. Arakaki TL, Fang NX, Fairlie DP, Young PR, Martin JL: Catalytically active Dengue virus NS3 protease forms aggregates that are separable by size exclusion chromatography. Protein Expr Purif. 2002 Jul;25(2):241-7. [PubMed:12135556 ]
  5. Schlesinger DH, Audhya TK, Walter R: Complete amino acid sequence of bovine neurophysin-I. A major secretory product of the posterior pituitary. J Biol Chem. 1978 Jul 25;253(14):5019-24. [PubMed:670174 ]