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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-06 21:02:32 UTC
Update Date2021-09-14 15:46:18 UTC
HMDB IDHMDB0028803
Secondary Accession Numbers
  • HMDB28803
Metabolite Identification
Common NameGlutaminylmethionine
DescriptionGlutaminylmethionine, also known as Q-m dipeptide or GLN-met, belongs to the class of organic compounds known as peptides. Peptides are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another. Glutaminylmethionine 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 glutaminylmethionine a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on Glutaminylmethionine.
Structure
Data?1582753342
Synonyms
ValueSource
GLN-MetHMDB
L-Glutaminyl-L-methionineHMDB
N-GlutaminylmethionineHMDB
N-L-Glutaminyl-L-methionineHMDB
Glutaminyl-methionineHMDB
Glutamine methionine dipeptideHMDB
Glutamine-methionine dipeptideHMDB
Q-m DipeptideHMDB
QM DipeptideHMDB
L-GLN-L-MetHMDB
(2S)-2-{[(2S)-2-amino-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene]amino}-4-(methylsulfanyl)butanoateHMDB
(2S)-2-{[(2S)-2-amino-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene]amino}-4-(methylsulphanyl)butanoateHMDB
(2S)-2-{[(2S)-2-amino-1-hydroxy-4-(C-hydroxycarbonimidoyl)butylidene]amino}-4-(methylsulphanyl)butanoic acidHMDB
GlutaminylmethionineHMDB
Chemical FormulaC10H19N3O4S
Average Molecular Weight277.34
Monoisotopic Molecular Weight277.109627278
IUPAC Name(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-(methylsulfanyl)butanoic acid
Traditional Name(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-(methylsulfanyl)butanoic acid
CAS Registry Number114659-59-5
SMILES
CSCC[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(O)=O
InChI Identifier
InChI=1S/C10H19N3O4S/c1-18-5-4-7(10(16)17)13-9(15)6(11)2-3-8(12)14/h6-7H,2-5,11H2,1H3,(H2,12,14)(H,13,15)(H,16,17)/t6-,7-/m0/s1
InChI KeySIGGQAHUPUBWNF-BQBZGAKWSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as peptides. Peptides are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentPeptides
Alternative Parents
Substituents
  • Alpha peptide
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid or derivatives
  • Thia fatty acid
  • Fatty acyl
  • Fatty acid
  • Amino acid or derivatives
  • Amino acid
  • Carboximidic acid
  • Carboximidic acid derivative
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Dialkylthioether
  • Thioether
  • Sulfenyl compound
  • Propargyl-type 1,3-dipolar organic compound
  • Organic 1,3-dipolar compound
  • Organonitrogen compound
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Organooxygen compound
  • Organosulfur compound
  • Hydrocarbon derivative
  • Primary amine
  • Carbonyl group
  • Organic nitrogen compound
  • Amine
  • Primary aliphatic 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 PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogP-3.89Extrapolated
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility3.28 g/LALOGPS
logP-2.6ALOGPS
logP-3.9ChemAxon
logS-1.9ALOGPS
pKa (Strongest Acidic)3.66ChemAxon
pKa (Strongest Basic)8.23ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area135.51 ŲChemAxon
Rotatable Bond Count9ChemAxon
Refractivity67.5 m³·mol⁻¹ChemAxon
Polarizability28.36 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]+169.90630932474
DeepCCS[M-H]-167.54830932474
DeepCCS[M-2H]-200.43530932474
DeepCCS[M+Na]+175.99930932474
AllCCS[M+H]+161.532859911
AllCCS[M+H-H2O]+158.632859911
AllCCS[M+NH4]+164.232859911
AllCCS[M+Na]+164.932859911
AllCCS[M-H]-161.532859911
AllCCS[M+Na-2H]-162.132859911
AllCCS[M+HCOO]-163.032859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
GlutaminylmethionineCSCC[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(O)=O3312.7Standard polar33892256
GlutaminylmethionineCSCC[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(O)=O2412.9Standard non polar33892256
GlutaminylmethionineCSCC[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(O)=O2769.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Glutaminylmethionine,1TMS,isomer #1CSCC[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)O[Si](C)(C)C2495.7Semi standard non polar33892256
Glutaminylmethionine,1TMS,isomer #2CSCC[C@H](NC(=O)[C@H](CCC(N)=O)N[Si](C)(C)C)C(=O)O2547.4Semi standard non polar33892256
Glutaminylmethionine,1TMS,isomer #3CSCC[C@H](NC(=O)[C@@H](N)CCC(=O)N[Si](C)(C)C)C(=O)O2585.5Semi standard non polar33892256
Glutaminylmethionine,1TMS,isomer #4CSCC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCC(N)=O)[Si](C)(C)C2465.1Semi standard non polar33892256
Glutaminylmethionine,2TMS,isomer #1CSCC[C@H](NC(=O)[C@H](CCC(N)=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C2558.0Semi standard non polar33892256
Glutaminylmethionine,2TMS,isomer #1CSCC[C@H](NC(=O)[C@H](CCC(N)=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C2432.8Standard non polar33892256
Glutaminylmethionine,2TMS,isomer #2CSCC[C@H](NC(=O)[C@@H](N)CCC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C2602.3Semi standard non polar33892256
Glutaminylmethionine,2TMS,isomer #2CSCC[C@H](NC(=O)[C@@H](N)CCC(=O)N[Si](C)(C)C)C(=O)O[Si](C)(C)C2461.6Standard non polar33892256
Glutaminylmethionine,2TMS,isomer #3CSCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCC(N)=O)[Si](C)(C)C2447.1Semi standard non polar33892256
Glutaminylmethionine,2TMS,isomer #3CSCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCC(N)=O)[Si](C)(C)C2384.3Standard non polar33892256
Glutaminylmethionine,2TMS,isomer #4CSCC[C@H](NC(=O)[C@H](CCC(=O)N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O2634.1Semi standard non polar33892256
Glutaminylmethionine,2TMS,isomer #4CSCC[C@H](NC(=O)[C@H](CCC(=O)N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O2554.3Standard non polar33892256
Glutaminylmethionine,2TMS,isomer #5CSCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(N)=O)N[Si](C)(C)C)[Si](C)(C)C2511.0Semi standard non polar33892256
Glutaminylmethionine,2TMS,isomer #5CSCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(N)=O)N[Si](C)(C)C)[Si](C)(C)C2453.7Standard non polar33892256
Glutaminylmethionine,2TMS,isomer #6CSCC[C@H](NC(=O)[C@H](CCC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2681.5Semi standard non polar33892256
Glutaminylmethionine,2TMS,isomer #6CSCC[C@H](NC(=O)[C@H](CCC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2542.2Standard non polar33892256
Glutaminylmethionine,2TMS,isomer #7CSCC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCC(=O)N[Si](C)(C)C)[Si](C)(C)C2505.4Semi standard non polar33892256
Glutaminylmethionine,2TMS,isomer #7CSCC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCC(=O)N[Si](C)(C)C)[Si](C)(C)C2516.0Standard non polar33892256
Glutaminylmethionine,2TMS,isomer #8CSCC[C@H](NC(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2664.5Semi standard non polar33892256
Glutaminylmethionine,2TMS,isomer #8CSCC[C@H](NC(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2545.3Standard non polar33892256
Glutaminylmethionine,3TMS,isomer #1CSCC[C@H](NC(=O)[C@H](CCC(=O)N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C2646.4Semi standard non polar33892256
Glutaminylmethionine,3TMS,isomer #1CSCC[C@H](NC(=O)[C@H](CCC(=O)N[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C2579.6Standard non polar33892256
Glutaminylmethionine,3TMS,isomer #10CSCC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2573.8Semi standard non polar33892256
Glutaminylmethionine,3TMS,isomer #10CSCC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2620.0Standard non polar33892256
Glutaminylmethionine,3TMS,isomer #2CSCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(N)=O)N[Si](C)(C)C)[Si](C)(C)C2500.0Semi standard non polar33892256
Glutaminylmethionine,3TMS,isomer #2CSCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(N)=O)N[Si](C)(C)C)[Si](C)(C)C2507.1Standard non polar33892256
Glutaminylmethionine,3TMS,isomer #3CSCC[C@H](NC(=O)[C@H](CCC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2682.6Semi standard non polar33892256
Glutaminylmethionine,3TMS,isomer #3CSCC[C@H](NC(=O)[C@H](CCC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2577.5Standard non polar33892256
Glutaminylmethionine,3TMS,isomer #4CSCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCC(=O)N[Si](C)(C)C)[Si](C)(C)C2485.2Semi standard non polar33892256
Glutaminylmethionine,3TMS,isomer #4CSCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCC(=O)N[Si](C)(C)C)[Si](C)(C)C2553.7Standard non polar33892256
Glutaminylmethionine,3TMS,isomer #5CSCC[C@H](NC(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2666.0Semi standard non polar33892256
Glutaminylmethionine,3TMS,isomer #5CSCC[C@H](NC(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2571.3Standard non polar33892256
Glutaminylmethionine,3TMS,isomer #6CSCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C2556.1Semi standard non polar33892256
Glutaminylmethionine,3TMS,isomer #6CSCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C2618.7Standard non polar33892256
Glutaminylmethionine,3TMS,isomer #7CSCC[C@H](NC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O2694.2Semi standard non polar33892256
Glutaminylmethionine,3TMS,isomer #7CSCC[C@H](NC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O2643.0Standard non polar33892256
Glutaminylmethionine,3TMS,isomer #8CSCC[C@H](NC(=O)[C@H](CCC(=O)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2729.9Semi standard non polar33892256
Glutaminylmethionine,3TMS,isomer #8CSCC[C@H](NC(=O)[C@H](CCC(=O)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2679.8Standard non polar33892256
Glutaminylmethionine,3TMS,isomer #9CSCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2627.3Semi standard non polar33892256
Glutaminylmethionine,3TMS,isomer #9CSCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2594.3Standard non polar33892256
Glutaminylmethionine,4TMS,isomer #1CSCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C2533.1Semi standard non polar33892256
Glutaminylmethionine,4TMS,isomer #1CSCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)N[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C2648.5Standard non polar33892256
Glutaminylmethionine,4TMS,isomer #2CSCC[C@H](NC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C2666.7Semi standard non polar33892256
Glutaminylmethionine,4TMS,isomer #2CSCC[C@H](NC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)C(=O)O[Si](C)(C)C2669.7Standard non polar33892256
Glutaminylmethionine,4TMS,isomer #3CSCC[C@H](NC(=O)[C@H](CCC(=O)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2702.8Semi standard non polar33892256
Glutaminylmethionine,4TMS,isomer #3CSCC[C@H](NC(=O)[C@H](CCC(=O)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2703.2Standard non polar33892256
Glutaminylmethionine,4TMS,isomer #4CSCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2665.3Semi standard non polar33892256
Glutaminylmethionine,4TMS,isomer #4CSCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(N)=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2641.1Standard non polar33892256
Glutaminylmethionine,4TMS,isomer #5CSCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2565.8Semi standard non polar33892256
Glutaminylmethionine,4TMS,isomer #5CSCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2658.8Standard non polar33892256
Glutaminylmethionine,4TMS,isomer #6CSCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C2633.5Semi standard non polar33892256
Glutaminylmethionine,4TMS,isomer #6CSCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C2707.5Standard non polar33892256
Glutaminylmethionine,4TMS,isomer #7CSCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2669.6Semi standard non polar33892256
Glutaminylmethionine,4TMS,isomer #7CSCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2730.3Standard non polar33892256
Glutaminylmethionine,4TMS,isomer #8CSCC[C@H](NC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2815.7Semi standard non polar33892256
Glutaminylmethionine,4TMS,isomer #8CSCC[C@H](NC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O2771.3Standard non polar33892256
Glutaminylmethionine,5TMS,isomer #1CSCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C2621.2Semi standard non polar33892256
Glutaminylmethionine,5TMS,isomer #1CSCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C)[Si](C)(C)C2730.0Standard non polar33892256
Glutaminylmethionine,5TMS,isomer #2CSCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2677.1Semi standard non polar33892256
Glutaminylmethionine,5TMS,isomer #2CSCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2752.7Standard non polar33892256
Glutaminylmethionine,5TMS,isomer #3CSCC[C@H](NC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2801.6Semi standard non polar33892256
Glutaminylmethionine,5TMS,isomer #3CSCC[C@H](NC(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2790.4Standard non polar33892256
Glutaminylmethionine,5TMS,isomer #4CSCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2800.9Semi standard non polar33892256
Glutaminylmethionine,5TMS,isomer #4CSCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2823.2Standard non polar33892256
Glutaminylmethionine,6TMS,isomer #1CSCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2822.7Semi standard non polar33892256
Glutaminylmethionine,6TMS,isomer #1CSCC[C@@H](C(=O)O[Si](C)(C)C)N(C(=O)[C@H](CCC(=O)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2842.9Standard non polar33892256
Glutaminylmethionine,1TBDMS,isomer #1CSCC[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)O[Si](C)(C)C(C)(C)C2757.1Semi standard non polar33892256
Glutaminylmethionine,1TBDMS,isomer #2CSCC[C@H](NC(=O)[C@H](CCC(N)=O)N[Si](C)(C)C(C)(C)C)C(=O)O2791.0Semi standard non polar33892256
Glutaminylmethionine,1TBDMS,isomer #3CSCC[C@H](NC(=O)[C@@H](N)CCC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O2834.5Semi standard non polar33892256
Glutaminylmethionine,1TBDMS,isomer #4CSCC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCC(N)=O)[Si](C)(C)C(C)(C)C2727.8Semi standard non polar33892256
Glutaminylmethionine,2TBDMS,isomer #1CSCC[C@H](NC(=O)[C@H](CCC(N)=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3030.4Semi standard non polar33892256
Glutaminylmethionine,2TBDMS,isomer #1CSCC[C@H](NC(=O)[C@H](CCC(N)=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2856.2Standard non polar33892256
Glutaminylmethionine,2TBDMS,isomer #2CSCC[C@H](NC(=O)[C@@H](N)CCC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3072.8Semi standard non polar33892256
Glutaminylmethionine,2TBDMS,isomer #2CSCC[C@H](NC(=O)[C@@H](N)CCC(=O)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2855.1Standard non polar33892256
Glutaminylmethionine,2TBDMS,isomer #3CSCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCC(N)=O)[Si](C)(C)C(C)(C)C2953.9Semi standard non polar33892256
Glutaminylmethionine,2TBDMS,isomer #3CSCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCC(N)=O)[Si](C)(C)C(C)(C)C2798.5Standard non polar33892256
Glutaminylmethionine,2TBDMS,isomer #4CSCC[C@H](NC(=O)[C@H](CCC(=O)N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O3098.1Semi standard non polar33892256
Glutaminylmethionine,2TBDMS,isomer #4CSCC[C@H](NC(=O)[C@H](CCC(=O)N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O2916.5Standard non polar33892256
Glutaminylmethionine,2TBDMS,isomer #5CSCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(N)=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3003.3Semi standard non polar33892256
Glutaminylmethionine,2TBDMS,isomer #5CSCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(N)=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2839.9Standard non polar33892256
Glutaminylmethionine,2TBDMS,isomer #6CSCC[C@H](NC(=O)[C@H](CCC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3130.9Semi standard non polar33892256
Glutaminylmethionine,2TBDMS,isomer #6CSCC[C@H](NC(=O)[C@H](CCC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2928.9Standard non polar33892256
Glutaminylmethionine,2TBDMS,isomer #7CSCC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCC(=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2989.8Semi standard non polar33892256
Glutaminylmethionine,2TBDMS,isomer #7CSCC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCC(=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2870.4Standard non polar33892256
Glutaminylmethionine,2TBDMS,isomer #8CSCC[C@H](NC(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3141.4Semi standard non polar33892256
Glutaminylmethionine,2TBDMS,isomer #8CSCC[C@H](NC(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2918.0Standard non polar33892256
Glutaminylmethionine,3TBDMS,isomer #1CSCC[C@H](NC(=O)[C@H](CCC(=O)N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3320.5Semi standard non polar33892256
Glutaminylmethionine,3TBDMS,isomer #1CSCC[C@H](NC(=O)[C@H](CCC(=O)N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3102.4Standard non polar33892256
Glutaminylmethionine,3TBDMS,isomer #10CSCC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3282.5Semi standard non polar33892256
Glutaminylmethionine,3TBDMS,isomer #10CSCC[C@@H](C(=O)O)N(C(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3118.8Standard non polar33892256
Glutaminylmethionine,3TBDMS,isomer #2CSCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCC(N)=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3221.2Semi standard non polar33892256
Glutaminylmethionine,3TBDMS,isomer #2CSCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCC(N)=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3053.1Standard non polar33892256
Glutaminylmethionine,3TBDMS,isomer #3CSCC[C@H](NC(=O)[C@H](CCC(N)=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)C3378.8Semi standard non polar33892256
Glutaminylmethionine,3TBDMS,isomer #3CSCC[C@H](NC(=O)[C@H](CCC(N)=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)C3117.2Standard non polar33892256
Glutaminylmethionine,3TBDMS,isomer #4CSCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCC(=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3204.0Semi standard non polar33892256
Glutaminylmethionine,3TBDMS,isomer #4CSCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCC(=O)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3073.5Standard non polar33892256
Glutaminylmethionine,3TBDMS,isomer #5CSCC[C@H](NC(=O)[C@@H](N)CCC(=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)C3353.7Semi standard non polar33892256
Glutaminylmethionine,3TBDMS,isomer #5CSCC[C@H](NC(=O)[C@@H](N)CCC(=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)C3114.8Standard non polar33892256
Glutaminylmethionine,3TBDMS,isomer #6CSCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3258.2Semi standard non polar33892256
Glutaminylmethionine,3TBDMS,isomer #6CSCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3091.6Standard non polar33892256
Glutaminylmethionine,3TBDMS,isomer #7CSCC[C@H](NC(=O)[C@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O3408.5Semi standard non polar33892256
Glutaminylmethionine,3TBDMS,isomer #7CSCC[C@H](NC(=O)[C@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O3163.1Standard non polar33892256
Glutaminylmethionine,3TBDMS,isomer #8CSCC[C@H](NC(=O)[C@H](CCC(=O)N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3443.4Semi standard non polar33892256
Glutaminylmethionine,3TBDMS,isomer #8CSCC[C@H](NC(=O)[C@H](CCC(=O)N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3170.5Standard non polar33892256
Glutaminylmethionine,3TBDMS,isomer #9CSCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3339.5Semi standard non polar33892256
Glutaminylmethionine,3TBDMS,isomer #9CSCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3109.6Standard non polar33892256
Glutaminylmethionine,4TBDMS,isomer #1CSCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCC(=O)N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3448.8Semi standard non polar33892256
Glutaminylmethionine,4TBDMS,isomer #1CSCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCC(=O)N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3268.6Standard non polar33892256
Glutaminylmethionine,4TBDMS,isomer #2CSCC[C@H](NC(=O)[C@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3594.0Semi standard non polar33892256
Glutaminylmethionine,4TBDMS,isomer #2CSCC[C@H](NC(=O)[C@H](CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3326.2Standard non polar33892256
Glutaminylmethionine,4TBDMS,isomer #3CSCC[C@H](NC(=O)[C@H](CCC(=O)N[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)C3650.9Semi standard non polar33892256
Glutaminylmethionine,4TBDMS,isomer #3CSCC[C@H](NC(=O)[C@H](CCC(=O)N[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)C3333.0Standard non polar33892256
Glutaminylmethionine,4TBDMS,isomer #4CSCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3564.3Semi standard non polar33892256
Glutaminylmethionine,4TBDMS,isomer #4CSCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCC(N)=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3308.6Standard non polar33892256
Glutaminylmethionine,4TBDMS,isomer #5CSCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3485.0Semi standard non polar33892256
Glutaminylmethionine,4TBDMS,isomer #5CSCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@@H](N)CCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3316.0Standard non polar33892256
Glutaminylmethionine,4TBDMS,isomer #6CSCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)N([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)C3561.3Semi standard non polar33892256
Glutaminylmethionine,4TBDMS,isomer #6CSCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)N([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)C3331.0Standard non polar33892256
Glutaminylmethionine,4TBDMS,isomer #7CSCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)N[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)C3600.3Semi standard non polar33892256
Glutaminylmethionine,4TBDMS,isomer #7CSCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)N[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)C3337.1Standard non polar33892256
Glutaminylmethionine,4TBDMS,isomer #8CSCC[C@H](NC(=O)[C@H](CCC(=O)N([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)C)C(=O)O3726.6Semi standard non polar33892256
Glutaminylmethionine,4TBDMS,isomer #8CSCC[C@H](NC(=O)[C@H](CCC(=O)N([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)C)C(=O)O3407.9Standard non polar33892256
Glutaminylmethionine,5TBDMS,isomer #1CSCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCC(=O)N([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)C3733.8Semi standard non polar33892256
Glutaminylmethionine,5TBDMS,isomer #1CSCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCC(=O)N([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)C3490.9Standard non polar33892256
Glutaminylmethionine,5TBDMS,isomer #2CSCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCC(=O)N[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)C3792.4Semi standard non polar33892256
Glutaminylmethionine,5TBDMS,isomer #2CSCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N(C(=O)[C@H](CCC(=O)N[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)C3501.3Standard non polar33892256
Glutaminylmethionine,5TBDMS,isomer #3CSCC[C@H](NC(=O)[C@H](CCC(=O)N([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)C)C(=O)O[Si](C)(C)C(C)(C)C3924.0Semi standard non polar33892256
Glutaminylmethionine,5TBDMS,isomer #3CSCC[C@H](NC(=O)[C@H](CCC(=O)N([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)C)C(=O)O[Si](C)(C)C(C)(C)C3550.3Standard non polar33892256
Glutaminylmethionine,5TBDMS,isomer #4CSCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)N([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)C)[Si](C)(C)C(C)(C)C3887.2Semi standard non polar33892256
Glutaminylmethionine,5TBDMS,isomer #4CSCC[C@@H](C(=O)O)N(C(=O)[C@H](CCC(=O)N([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)C)[Si](C)(C)C(C)(C)C3566.5Standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Glutaminylmethionine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glutaminylmethionine 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 - Glutaminylmethionine 10V, Positive-QTOFsplash10-03fr-1390000000-ad1d9c2d239d53e0e9f62019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glutaminylmethionine 20V, Positive-QTOFsplash10-0ue9-6960000000-c1b105db02dadb0974732019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glutaminylmethionine 40V, Positive-QTOFsplash10-0pb9-9200000000-d5a02aba454ba073c37d2019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glutaminylmethionine 10V, Negative-QTOFsplash10-004j-4090000000-75c1a2ab96cb9e22073d2019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glutaminylmethionine 20V, Negative-QTOFsplash10-0002-9220000000-d4625effb8d4b601325c2019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glutaminylmethionine 40V, Negative-QTOFsplash10-0002-9100000000-344e80fb02918babe8eb2019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glutaminylmethionine 10V, Positive-QTOFsplash10-0fb9-0690000000-c90f6d9e3a4f5d5530c32021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glutaminylmethionine 20V, Positive-QTOFsplash10-0ufr-4960000000-1a3908882c7c02f5c59f2021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glutaminylmethionine 40V, Positive-QTOFsplash10-0udi-9700000000-72279cf3eb3c1f72fc652021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glutaminylmethionine 10V, Negative-QTOFsplash10-004i-0090000000-a5f3e1001324280008d72021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glutaminylmethionine 20V, Negative-QTOFsplash10-004m-6960000000-e7cb25650ee6520593f02021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glutaminylmethionine 40V, Negative-QTOFsplash10-0002-9000000000-82d6f6f4390bbec79abb2021-10-11Wishart 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 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 IDFDB111850
KNApSAcK IDNot Available
Chemspider ID74854304
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound54307034
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 ReferencesNot Available