Hmdb loader
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-06 21:02:39 UTC
Update Date2021-09-14 15:46:18 UTC
HMDB IDHMDB0028825
Secondary Accession Numbers
  • HMDB28825
Metabolite Identification
Common NameGlutamylmethionine
DescriptionGlutamylmethionine is a dipeptide composed of glutamate and methionine, and is a proteolytic breakdown product of larger proteins. It belongs to the family of N-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. Glutamylmethionine 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.
Structure
Data?1582753345
Synonyms
ValueSource
E-MChEBI
EMChEBI
L-Glu-L-metChEBI
e-m DipeptideHMDB
EM dipeptideHMDB
Glu-metHMDB
Glutamate methionine dipeptideHMDB
Glutamate-methionine dipeptideHMDB
L-Glutamyl-L-methionineHMDB
Glutamyl-methionineHMDB
Α-glu-metHMDB
Α-L-glu-L-metHMDB
Α-glutamylmethionineHMDB
Α-L-glutamyl-L-methionineHMDB
L-Α-glutamyl-L-methionineHMDB
N-Α-glutamylmethionineHMDB
N-Α-L-glutamyl-L-methionineHMDB
N-L-Α-glutamylmethionineHMDB
N-L-Α-glutamyl-L-methionineHMDB
alpha-Glu-metHMDB
alpha-L-Glu-L-metHMDB
alpha-GlutamylmethionineHMDB
alpha-L-Glutamyl-L-methionineHMDB
L-alpha-Glutamyl-L-methionineHMDB
N-alpha-GlutamylmethionineHMDB
N-alpha-L-Glutamyl-L-methionineHMDB
N-L-alpha-GlutamylmethionineHMDB
N-L-alpha-Glutamyl-L-methionineHMDB
N-GlutamylmethionineHMDB
N-L-Glutamyl-L-methionineHMDB
Glutamic acid methionine dipeptideHMDB
Glutamic acid-methionine dipeptideHMDB
GlutamylmethionineHMDB, MeSH
Chemical FormulaC10H18N2O5S
Average Molecular Weight278.32
Monoisotopic Molecular Weight278.093642862
IUPAC Name(4S)-4-amino-4-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid
Traditional Name(4S)-4-amino-4-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid
CAS Registry Number4423-22-7
SMILES
CSCC[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(O)=O
InChI Identifier
InChI=1S/C10H18N2O5S/c1-18-5-4-7(10(16)17)12-9(15)6(11)2-3-8(13)14/h6-7H,2-5,11H2,1H3,(H,12,15)(H,13,14)(H,16,17)/t6-,7-/m0/s1
InChI KeySXGAGTVDWKQYCX-BQBZGAKWSA-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
  • Glutamic acid or derivatives
  • Methionine or derivatives
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • N-acyl-l-alpha-amino acid
  • Alpha-amino acid amide
  • Alpha-amino acid or derivatives
  • Amino fatty acid
  • Thia fatty acid
  • Dicarboxylic acid or derivatives
  • Fatty amide
  • N-acyl-amine
  • Fatty acid
  • Fatty acyl
  • Amino acid or derivatives
  • Secondary carboxylic acid amide
  • Carboxamide group
  • Amino acid
  • Dialkylthioether
  • Sulfenyl compound
  • Thioether
  • Carboxylic acid
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Primary aliphatic amine
  • Organic nitrogen compound
  • Organic oxide
  • Organonitrogen compound
  • Carbonyl group
  • Organopnictogen compound
  • Organooxygen compound
  • Organosulfur compound
  • Primary amine
  • Amine
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
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
LogP-3.36Extrapolated
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility5.81 g/LALOGPS
logP-2.9ALOGPS
logP-3.4ChemAxon
logS-1.9ALOGPS
pKa (Strongest Acidic)3.35ChemAxon
pKa (Strongest Basic)8.45ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area129.72 ŲChemAxon
Rotatable Bond Count9ChemAxon
Refractivity65.67 m³·mol⁻¹ChemAxon
Polarizability27.98 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]+169.05330932474
DeepCCS[M-H]-166.69530932474
DeepCCS[M-2H]-199.58230932474
DeepCCS[M+Na]+175.14730932474
AllCCS[M+H]+161.532859911
AllCCS[M+H-H2O]+158.632859911
AllCCS[M+NH4]+164.232859911
AllCCS[M+Na]+165.032859911
AllCCS[M-H]-160.932859911
AllCCS[M+Na-2H]-161.632859911
AllCCS[M+HCOO]-162.432859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
GlutamylmethionineCSCC[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(O)=O3612.6Standard polar33892256
GlutamylmethionineCSCC[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(O)=O2313.1Standard non polar33892256
GlutamylmethionineCSCC[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(O)=O2565.2Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Glutamylmethionine,1TMS,isomer #1CSCC[C@H](NC(=O)[C@@H](N)CCC(=O)O[Si](C)(C)C)C(=O)O2413.3Semi standard non polar33892256
Glutamylmethionine,1TMS,isomer #2CSCC[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)O[Si](C)(C)C2391.9Semi standard non polar33892256
Glutamylmethionine,1TMS,isomer #3CSCC[C@H](NC(=O)[C@H](CCC(=O)O)N[Si](C)(C)C)C(=O)O2461.3Semi standard non polar33892256
Glutamylmethionine,1TMS,isomer #4CSCC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCC(=O)O)[Si](C)(C)C2363.6Semi standard non polar33892256
Glutamylmethionine,2TMS,isomer #1CSCC[C@H](NC(=O)[C@@H](N)CCC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C2430.2Semi standard non polar33892256
Glutamylmethionine,2TMS,isomer #2CSCC[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O2459.9Semi standard non polar33892256
Glutamylmethionine,2TMS,isomer #3CSCC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCC(=O)O[Si](C)(C)C)[Si](C)(C)C2349.2Semi standard non polar33892256
Glutamylmethionine,2TMS,isomer #4CSCC[C@H](NC(=O)[C@H](CCC(=O)O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C2461.8Semi standard non polar33892256
Glutamylmethionine,2TMS,isomer #5CSCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCC(=O)O)[Si](C)(C)C2347.3Semi standard non polar33892256
Glutamylmethionine,2TMS,isomer #6CSCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O)N[Si](C)(C)C)[Si](C)(C)C2411.6Semi standard non polar33892256
Glutamylmethionine,2TMS,isomer #7CSCC[C@H](NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2575.2Semi standard non polar33892256
Glutamylmethionine,3TMS,isomer #1CSCC[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C2466.7Semi standard non polar33892256
Glutamylmethionine,3TMS,isomer #1CSCC[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C2434.3Standard non polar33892256
Glutamylmethionine,3TMS,isomer #2CSCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCC(=O)O[Si](C)(C)C)[Si](C)(C)C2337.3Semi standard non polar33892256
Glutamylmethionine,3TMS,isomer #2CSCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCC(=O)O[Si](C)(C)C)[Si](C)(C)C2411.4Standard non polar33892256
Glutamylmethionine,3TMS,isomer #3CSCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C2391.2Semi standard non polar33892256
Glutamylmethionine,3TMS,isomer #3CSCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C2478.1Standard non polar33892256
Glutamylmethionine,3TMS,isomer #4CSCC[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2568.3Semi standard non polar33892256
Glutamylmethionine,3TMS,isomer #4CSCC[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2526.9Standard non polar33892256
Glutamylmethionine,3TMS,isomer #5CSCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)O)N[Si](C)(C)C)[Si](C)(C)C2404.1Semi standard non polar33892256
Glutamylmethionine,3TMS,isomer #5CSCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)O)N[Si](C)(C)C)[Si](C)(C)C2443.9Standard non polar33892256
Glutamylmethionine,3TMS,isomer #6CSCC[C@H](NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2583.5Semi standard non polar33892256
Glutamylmethionine,3TMS,isomer #6CSCC[C@H](NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2492.4Standard non polar33892256
Glutamylmethionine,3TMS,isomer #7CSCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2519.2Semi standard non polar33892256
Glutamylmethionine,3TMS,isomer #7CSCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2527.9Standard non polar33892256
Glutamylmethionine,4TMS,isomer #1CSCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)O[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C2380.9Semi standard non polar33892256
Glutamylmethionine,4TMS,isomer #1CSCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)O[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C2506.8Standard non polar33892256
Glutamylmethionine,4TMS,isomer #2CSCC[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2527.4Semi standard non polar33892256
Glutamylmethionine,4TMS,isomer #2CSCC[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2560.3Standard non polar33892256
Glutamylmethionine,4TMS,isomer #3CSCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2545.3Semi standard non polar33892256
Glutamylmethionine,4TMS,isomer #3CSCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2592.2Standard non polar33892256
Glutamylmethionine,4TMS,isomer #4CSCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2573.2Semi standard non polar33892256
Glutamylmethionine,4TMS,isomer #4CSCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2559.1Standard non polar33892256
Glutamylmethionine,5TMS,isomer #1CSCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2567.0Semi standard non polar33892256
Glutamylmethionine,5TMS,isomer #1CSCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2617.6Standard non polar33892256
Glutamylmethionine,1TBDMS,isomer #1CSCC[C@H](NC(=O)[C@@H](N)CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O2666.1Semi standard non polar33892256
Glutamylmethionine,1TBDMS,isomer #2CSCC[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C2639.5Semi standard non polar33892256
Glutamylmethionine,1TBDMS,isomer #3CSCC[C@H](NC(=O)[C@H](CCC(=O)O)N[Si](C)(C)C(C)(C)C)C(=O)O2698.2Semi standard non polar33892256
Glutamylmethionine,1TBDMS,isomer #4CSCC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCC(=O)O)[Si](C)(C)C(C)(C)C2606.0Semi standard non polar33892256
Glutamylmethionine,2TBDMS,isomer #1CSCC[C@H](NC(=O)[C@@H](N)CCC(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2907.9Semi standard non polar33892256
Glutamylmethionine,2TBDMS,isomer #2CSCC[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O2932.9Semi standard non polar33892256
Glutamylmethionine,2TBDMS,isomer #3CSCC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2844.8Semi standard non polar33892256
Glutamylmethionine,2TBDMS,isomer #4CSCC[C@H](NC(=O)[C@H](CCC(=O)O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2912.3Semi standard non polar33892256
Glutamylmethionine,2TBDMS,isomer #5CSCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCC(=O)O)[Si](C)(C)C(C)(C)C2844.1Semi standard non polar33892256
Glutamylmethionine,2TBDMS,isomer #6CSCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2876.5Semi standard non polar33892256
Glutamylmethionine,2TBDMS,isomer #7CSCC[C@H](NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3022.4Semi standard non polar33892256
Glutamylmethionine,3TBDMS,isomer #1CSCC[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3156.7Semi standard non polar33892256
Glutamylmethionine,3TBDMS,isomer #1CSCC[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2983.8Standard non polar33892256
Glutamylmethionine,3TBDMS,isomer #2CSCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3074.3Semi standard non polar33892256
Glutamylmethionine,3TBDMS,isomer #2CSCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCC(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2962.9Standard non polar33892256
Glutamylmethionine,3TBDMS,isomer #3CSCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3127.4Semi standard non polar33892256
Glutamylmethionine,3TBDMS,isomer #3CSCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2981.5Standard non polar33892256
Glutamylmethionine,3TBDMS,isomer #4CSCC[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3298.5Semi standard non polar33892256
Glutamylmethionine,3TBDMS,isomer #4CSCC[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3043.2Standard non polar33892256
Glutamylmethionine,3TBDMS,isomer #5CSCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCC(=O)O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3117.3Semi standard non polar33892256
Glutamylmethionine,3TBDMS,isomer #5CSCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCC(=O)O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2949.6Standard non polar33892256
Glutamylmethionine,3TBDMS,isomer #6CSCC[C@H](NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3269.9Semi standard non polar33892256
Glutamylmethionine,3TBDMS,isomer #6CSCC[C@H](NC(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3008.0Standard non polar33892256
Glutamylmethionine,3TBDMS,isomer #7CSCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3232.5Semi standard non polar33892256
Glutamylmethionine,3TBDMS,isomer #7CSCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3013.6Standard non polar33892256
Glutamylmethionine,4TBDMS,isomer #1CSCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3316.1Semi standard non polar33892256
Glutamylmethionine,4TBDMS,isomer #1CSCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3157.3Standard non polar33892256
Glutamylmethionine,4TBDMS,isomer #2CSCC[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3508.8Semi standard non polar33892256
Glutamylmethionine,4TBDMS,isomer #2CSCC[C@H](NC(=O)[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3212.1Standard non polar33892256
Glutamylmethionine,4TBDMS,isomer #3CSCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3485.8Semi standard non polar33892256
Glutamylmethionine,4TBDMS,isomer #3CSCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3227.0Standard non polar33892256
Glutamylmethionine,4TBDMS,isomer #4CSCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3472.9Semi standard non polar33892256
Glutamylmethionine,4TBDMS,isomer #4CSCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCC(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3202.7Standard non polar33892256
Glutamylmethionine,5TBDMS,isomer #1CSCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3688.8Semi standard non polar33892256
Glutamylmethionine,5TBDMS,isomer #1CSCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCC(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3392.1Standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Glutamylmethionine 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 - Glutamylmethionine 10V, Positive-QTOFsplash10-03e9-1290000000-51123e80d17beffa4d762019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glutamylmethionine 20V, Positive-QTOFsplash10-0ue9-6940000000-5d8ff94c206c99645c3b2019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glutamylmethionine 40V, Positive-QTOFsplash10-0a4i-9200000000-6b76ac882b74ad4b0f532019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glutamylmethionine 10V, Negative-QTOFsplash10-002b-4090000000-b4da320f1162e03bd3402019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glutamylmethionine 20V, Negative-QTOFsplash10-0002-9330000000-ecb75671fd573a6d03d02019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glutamylmethionine 40V, Negative-QTOFsplash10-0002-9200000000-32e14bd893d16ff666242019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glutamylmethionine 10V, Positive-QTOFsplash10-0udi-0950000000-905f45540910d3f3319d2021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glutamylmethionine 20V, Positive-QTOFsplash10-0udi-3920000000-cf5bd6581b87959ed2902021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glutamylmethionine 40V, Positive-QTOFsplash10-0il0-9300000000-1a3ca65005c8136febdb2021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glutamylmethionine 10V, Negative-QTOFsplash10-004i-0090000000-d2bde6715ca1897602772021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glutamylmethionine 20V, Negative-QTOFsplash10-002b-7980000000-8507db691fae31a178c02021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glutamylmethionine 40V, Negative-QTOFsplash10-0002-9000000000-b0b3a517ce9708a6de882021-10-11Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart 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 IDFDB111868
KNApSAcK IDNot Available
Chemspider ID4932367
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound6426949
PDB IDNot Available
ChEBI ID73507
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. Orlowski M, Wilk S: Intermediates of the gamma-glutamyl cycle in mouse tissues. Influence of administration of amino acids on pyrrolidone carboxylate and gamma-glutamyl amino acids. Eur J Biochem. 1975 May 6;53(2):581-90. [PubMed:237763 ]
  2. Griffith OW, Bridges RJ, Meister A: Transport of gamma-glutamyl amino acids: role of glutathione and gamma-glutamyl transpeptidase. Proc Natl Acad Sci U S A. 1979 Dec;76(12):6319-22. [PubMed:42913 ]
  3. Thornley-Brown D, Dass PD, Welbourne TC: Acetazolamide inhibition of renal gamma-glutamyl transpeptidase. Biochem Pharmacol. 1982 Nov 1;31(21):3347-52. [PubMed:6128982 ]