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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2012-09-11 19:11:30 UTC
Update Date2022-03-07 02:54:04 UTC
HMDB IDHMDB0034367
Secondary Accession Numbers
  • HMDB0029155
  • HMDB29155
  • HMDB34367
Metabolite Identification
Common Namegamma-Glutamylmethionine
Descriptiongamma-Glutamylmethionine is a dipeptide composed of gamma-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. gamma-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. gamma-Glutamylmethionine is found in onion-family vegetables. It is isolated from the seeds of onion (Allium cepa), kidney bean (Phaseolus vulgaris), mung bean (Vigna radiata), garlic (Allium sativum), and black gram (Vigna mungo).
Structure
Data?1563862552
Synonyms
ValueSource
g-GlutamylmethionineGenerator
Γ-glutamylmethionineGenerator
γ-Glu-MetHMDB, Generator
γ-L-Glu-L-MetHMDB
γ-L-Glutamyl-L-methionineHMDB
L-γ-Glutamyl-L-methionineHMDB
N-γ-GlutamylmethionineHMDB
N-L-γ-GlutamylmethionineHMDB
N-L-γ-Glutamyl-L-methionineHMDB
gamma-Glu-MetHMDB
gamma-L-Glu-L-MetHMDB
gamma-L-Glutamyl-L-methionineHMDB
L-gamma-Glutamyl-L-methionineHMDB
N-gamma-GlutamylmethionineHMDB
N-L-gamma-GlutamylmethionineHMDB
N-L-gamma-Glutamyl-L-methionineHMDB
gamma-GlutamylmethionineHMDB
N-γ-L-Glutamyl-L-methionineHMDB, Generator
N-gamma-L-Glutamyl-L-methionineHMDB
g-Glu-metGenerator
N-g-L-Glutamyl-L-methionineGenerator
Chemical FormulaC10H18N2O5S
Average Molecular Weight278.32
Monoisotopic Molecular Weight278.093642862
IUPAC Name(2S)-2-amino-4-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid
Traditional Name(2S)-2-amino-4-{[(1S)-1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid
CAS Registry Number17663-87-5
SMILES
CSCC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(O)=O
InChI Identifier
InChI=1S/C10H18N2O5S/c1-18-5-4-7(10(16)17)12-8(13)3-2-6(11)9(14)15/h6-7H,2-5,11H2,1H3,(H,12,13)(H,14,15)(H,16,17)/t6-,7-/m0/s1
InChI KeyRQNSKRXMANOPQY-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
  • Gamma-glutamyl alpha-amino acid
  • Glutamine 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
  • Alpha-amino acid or derivatives
  • L-alpha-amino 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
  • Organopnictogen compound
  • Organic nitrogen compound
  • Organic oxide
  • Organonitrogen compound
  • Carbonyl group
  • Organooxygen compound
  • Organosulfur compound
  • Primary amine
  • Amine
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point228 - 231 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility3.44 g/LALOGPS
logP-2.8ALOGPS
logP-3.2ChemAxon
logS-1.9ALOGPS
pKa (Strongest Acidic)1.92ChemAxon
pKa (Strongest Basic)9.31ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area129.72 ŲChemAxon
Rotatable Bond Count9ChemAxon
Refractivity65.67 m³·mol⁻¹ChemAxon
Polarizability27.66 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]+165.74930932474
DeepCCS[M-H]-163.39130932474
DeepCCS[M-2H]-196.27730932474
DeepCCS[M+Na]+171.84230932474
AllCCS[M+H]+161.632859911
AllCCS[M+H-H2O]+158.732859911
AllCCS[M+NH4]+164.332859911
AllCCS[M+Na]+165.132859911
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
gamma-GlutamylmethionineCSCC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(O)=O3494.0Standard polar33892256
gamma-GlutamylmethionineCSCC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(O)=O2294.3Standard non polar33892256
gamma-GlutamylmethionineCSCC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(O)=O2706.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
gamma-Glutamylmethionine,1TMS,isomer #1CSCC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O2396.3Semi standard non polar33892256
gamma-Glutamylmethionine,1TMS,isomer #2CSCC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C2400.0Semi standard non polar33892256
gamma-Glutamylmethionine,1TMS,isomer #3CSCC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O2492.1Semi standard non polar33892256
gamma-Glutamylmethionine,1TMS,isomer #4CSCC[C@@H](C(=O)O)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C2393.3Semi standard non polar33892256
gamma-Glutamylmethionine,2TMS,isomer #1CSCC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C2410.0Semi standard non polar33892256
gamma-Glutamylmethionine,2TMS,isomer #2CSCC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O2479.3Semi standard non polar33892256
gamma-Glutamylmethionine,2TMS,isomer #3CSCC[C@@H](C(=O)O)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C2378.6Semi standard non polar33892256
gamma-Glutamylmethionine,2TMS,isomer #4CSCC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C2482.0Semi standard non polar33892256
gamma-Glutamylmethionine,2TMS,isomer #5CSCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C2394.4Semi standard non polar33892256
gamma-Glutamylmethionine,2TMS,isomer #6CSCC[C@@H](C(=O)O)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C2447.3Semi standard non polar33892256
gamma-Glutamylmethionine,2TMS,isomer #7CSCC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2590.5Semi standard non polar33892256
gamma-Glutamylmethionine,3TMS,isomer #1CSCC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C2483.3Semi standard non polar33892256
gamma-Glutamylmethionine,3TMS,isomer #1CSCC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C2461.5Standard non polar33892256
gamma-Glutamylmethionine,3TMS,isomer #2CSCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C2385.0Semi standard non polar33892256
gamma-Glutamylmethionine,3TMS,isomer #2CSCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C2433.9Standard non polar33892256
gamma-Glutamylmethionine,3TMS,isomer #3CSCC[C@@H](C(=O)O)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2414.6Semi standard non polar33892256
gamma-Glutamylmethionine,3TMS,isomer #3CSCC[C@@H](C(=O)O)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2488.1Standard non polar33892256
gamma-Glutamylmethionine,3TMS,isomer #4CSCC[C@H](NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2597.5Semi standard non polar33892256
gamma-Glutamylmethionine,3TMS,isomer #4CSCC[C@H](NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2506.8Standard non polar33892256
gamma-Glutamylmethionine,3TMS,isomer #5CSCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C2436.5Semi standard non polar33892256
gamma-Glutamylmethionine,3TMS,isomer #5CSCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C2452.8Standard non polar33892256
gamma-Glutamylmethionine,3TMS,isomer #6CSCC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2593.9Semi standard non polar33892256
gamma-Glutamylmethionine,3TMS,isomer #6CSCC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2519.6Standard non polar33892256
gamma-Glutamylmethionine,3TMS,isomer #7CSCC[C@@H](C(=O)O)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2510.3Semi standard non polar33892256
gamma-Glutamylmethionine,3TMS,isomer #7CSCC[C@@H](C(=O)O)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2558.8Standard non polar33892256
gamma-Glutamylmethionine,4TMS,isomer #1CSCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2411.6Semi standard non polar33892256
gamma-Glutamylmethionine,4TMS,isomer #1CSCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2515.3Standard non polar33892256
gamma-Glutamylmethionine,4TMS,isomer #2CSCC[C@H](NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2595.1Semi standard non polar33892256
gamma-Glutamylmethionine,4TMS,isomer #2CSCC[C@H](NC(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2559.3Standard non polar33892256
gamma-Glutamylmethionine,4TMS,isomer #3CSCC[C@@H](C(=O)O)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2553.7Semi standard non polar33892256
gamma-Glutamylmethionine,4TMS,isomer #3CSCC[C@@H](C(=O)O)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2590.0Standard non polar33892256
gamma-Glutamylmethionine,4TMS,isomer #4CSCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2542.8Semi standard non polar33892256
gamma-Glutamylmethionine,4TMS,isomer #4CSCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2585.6Standard non polar33892256
gamma-Glutamylmethionine,5TMS,isomer #1CSCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2579.3Semi standard non polar33892256
gamma-Glutamylmethionine,5TMS,isomer #1CSCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)CC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2616.3Standard non polar33892256
gamma-Glutamylmethionine,1TBDMS,isomer #1CSCC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O2643.7Semi standard non polar33892256
gamma-Glutamylmethionine,1TBDMS,isomer #2CSCC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C2650.7Semi standard non polar33892256
gamma-Glutamylmethionine,1TBDMS,isomer #3CSCC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O2727.9Semi standard non polar33892256
gamma-Glutamylmethionine,1TBDMS,isomer #4CSCC[C@@H](C(=O)O)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C2635.5Semi standard non polar33892256
gamma-Glutamylmethionine,2TBDMS,isomer #1CSCC[C@H](NC(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2888.5Semi standard non polar33892256
gamma-Glutamylmethionine,2TBDMS,isomer #2CSCC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O2937.0Semi standard non polar33892256
gamma-Glutamylmethionine,2TBDMS,isomer #3CSCC[C@@H](C(=O)O)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2850.1Semi standard non polar33892256
gamma-Glutamylmethionine,2TBDMS,isomer #4CSCC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O[Si](C)(C)C(C)(C)C2942.1Semi standard non polar33892256
gamma-Glutamylmethionine,2TBDMS,isomer #5CSCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C2859.9Semi standard non polar33892256
gamma-Glutamylmethionine,2TBDMS,isomer #6CSCC[C@@H](C(=O)O)N(C(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C2906.6Semi standard non polar33892256
gamma-Glutamylmethionine,2TBDMS,isomer #7CSCC[C@H](NC(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3041.9Semi standard non polar33892256
gamma-Glutamylmethionine,3TBDMS,isomer #1CSCC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3154.9Semi standard non polar33892256
gamma-Glutamylmethionine,3TBDMS,isomer #1CSCC[C@H](NC(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3001.4Standard non polar33892256
gamma-Glutamylmethionine,3TBDMS,isomer #2CSCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3074.8Semi standard non polar33892256
gamma-Glutamylmethionine,3TBDMS,isomer #2CSCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2985.4Standard non polar33892256
gamma-Glutamylmethionine,3TBDMS,isomer #3CSCC[C@@H](C(=O)O)N(C(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3129.8Semi standard non polar33892256
gamma-Glutamylmethionine,3TBDMS,isomer #3CSCC[C@@H](C(=O)O)N(C(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2991.3Standard non polar33892256
gamma-Glutamylmethionine,3TBDMS,isomer #4CSCC[C@H](NC(=O)CC[C@@H](C(=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)O3305.7Semi standard non polar33892256
gamma-Glutamylmethionine,3TBDMS,isomer #4CSCC[C@H](NC(=O)CC[C@@H](C(=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)O3036.6Standard non polar33892256
gamma-Glutamylmethionine,3TBDMS,isomer #5CSCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3148.0Semi standard non polar33892256
gamma-Glutamylmethionine,3TBDMS,isomer #5CSCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C2979.1Standard non polar33892256
gamma-Glutamylmethionine,3TBDMS,isomer #6CSCC[C@H](NC(=O)CC[C@@H](C(=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)C3291.9Semi standard non polar33892256
gamma-Glutamylmethionine,3TBDMS,isomer #6CSCC[C@H](NC(=O)CC[C@@H](C(=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)C3035.2Standard non polar33892256
gamma-Glutamylmethionine,3TBDMS,isomer #7CSCC[C@@H](C(=O)O)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3250.8Semi standard non polar33892256
gamma-Glutamylmethionine,3TBDMS,isomer #7CSCC[C@@H](C(=O)O)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3035.3Standard non polar33892256
gamma-Glutamylmethionine,4TBDMS,isomer #1CSCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3318.7Semi standard non polar33892256
gamma-Glutamylmethionine,4TBDMS,isomer #1CSCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3167.6Standard non polar33892256
gamma-Glutamylmethionine,4TBDMS,isomer #2CSCC[C@H](NC(=O)CC[C@@H](C(=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)C3506.7Semi standard non polar33892256
gamma-Glutamylmethionine,4TBDMS,isomer #2CSCC[C@H](NC(=O)CC[C@@H](C(=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)C3220.3Standard non polar33892256
gamma-Glutamylmethionine,4TBDMS,isomer #3CSCC[C@@H](C(=O)O)N(C(=O)CC[C@@H](C(=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)C3485.1Semi standard non polar33892256
gamma-Glutamylmethionine,4TBDMS,isomer #3CSCC[C@@H](C(=O)O)N(C(=O)CC[C@@H](C(=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)C3229.7Standard non polar33892256
gamma-Glutamylmethionine,4TBDMS,isomer #4CSCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3482.6Semi standard non polar33892256
gamma-Glutamylmethionine,4TBDMS,isomer #4CSCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3224.2Standard non polar33892256
gamma-Glutamylmethionine,5TBDMS,isomer #1CSCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@@H](C(=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)C3672.6Semi standard non polar33892256
gamma-Glutamylmethionine,5TBDMS,isomer #1CSCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)CC[C@@H](C(=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)C3391.4Standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Gamma-glutamyl-Methionine 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 - gamma-Glutamylmethionine 35V, Negative-QTOFsplash10-004i-1910000000-c1c52b2bd939ddd6bf842021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - gamma-Glutamylmethionine 35V, Positive-QTOFsplash10-0f89-3900000000-00438eb0a774ced0bae82021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - gamma-Glutamylmethionine 10V, Negative-QTOFsplash10-002b-4090000000-55b52bfcc9ca463b56ac2019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - gamma-Glutamylmethionine 20V, Negative-QTOFsplash10-0002-9230000000-517fb9fdbbdb7d6c49092019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - gamma-Glutamylmethionine 40V, Negative-QTOFsplash10-0002-9100000000-3e9e75d9d14bdd56c5292019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - gamma-Glutamylmethionine 10V, Negative-QTOFsplash10-0a6r-0090000000-7407112da7bc745716002021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - gamma-Glutamylmethionine 20V, Negative-QTOFsplash10-0002-9660000000-c2f9ae2b54211898e3a12021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - gamma-Glutamylmethionine 40V, Negative-QTOFsplash10-0002-9000000000-9364a40bf03c64b880ed2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - gamma-Glutamylmethionine 10V, Positive-QTOFsplash10-01si-0390000000-9e44605d7484cf9f7adb2019-02-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - gamma-Glutamylmethionine 20V, Positive-QTOFsplash10-0f8i-2950000000-36b8168c83a082e2f8942019-02-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - gamma-Glutamylmethionine 40V, Positive-QTOFsplash10-0pb9-9700000000-07b7a3b4ae480e1e69662019-02-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - gamma-Glutamylmethionine 10V, Positive-QTOFsplash10-01u0-0190000000-1953e92d6fdae54c5d652021-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - gamma-Glutamylmethionine 20V, Positive-QTOFsplash10-001i-9830000000-2aae75afe4203cedae552021-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - gamma-Glutamylmethionine 40V, Positive-QTOFsplash10-0r0r-9200000000-c5aff9911c331b08fb532021-09-21Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 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, 1000 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, 200 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, 300 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, 400 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, 500 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, 600 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, 700 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, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen Locations
  • Feces
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
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
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Colorectal cancer
details
Associated Disorders and Diseases
Disease References
Colorectal cancer
  1. 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 ]
Associated OMIM IDs
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID5373147
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound7009567
PDB IDNot Available
ChEBI ID82965
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. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .