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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-06 21:03:14 UTC
Update Date2021-09-14 15:45:52 UTC
HMDB IDHMDB0028978
Secondary Accession Numbers
  • HMDB28978
Metabolite Identification
Common NameMethionyl-Lysine
DescriptionMethionyl-Lysine is a dipeptide composed of methionine and lysine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an 'Expected' metabolite.
Structure
Data?1582753361
Synonyms
ValueSource
L-Methionyl-L-lysineHMDB
m-K DipeptideHMDB
Met-lysHMDB
Methionine lysine dipeptideHMDB
Methionine-lysine dipeptideHMDB
MethionyllysineHMDB
MK DipeptideHMDB
6-Amino-2-{[2-amino-1-hydroxy-4-(methylsulfanyl)butylidene]amino}hexanoateHMDB
6-Amino-2-{[2-amino-1-hydroxy-4-(methylsulphanyl)butylidene]amino}hexanoateHMDB
6-Amino-2-{[2-amino-1-hydroxy-4-(methylsulphanyl)butylidene]amino}hexanoic acidHMDB
Chemical FormulaC11H23N3O3S
Average Molecular Weight277.384
Monoisotopic Molecular Weight277.146012307
IUPAC Name6-amino-2-[2-amino-4-(methylsulfanyl)butanamido]hexanoic acid
Traditional Name6-amino-2-[2-amino-4-(methylsulfanyl)butanamido]hexanoic acid
CAS Registry NumberNot Available
SMILES
CSCCC(N)C(=O)NC(CCCCN)C(O)=O
InChI Identifier
InChI=1S/C11H23N3O3S/c1-18-7-5-8(13)10(15)14-9(11(16)17)4-2-3-6-12/h8-9H,2-7,12-13H2,1H3,(H,14,15)(H,16,17)
InChI KeyIMTUWVJPCQPJEE-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentDipeptides
Alternative Parents
Substituents
  • Alpha-dipeptide
  • Methionine or derivatives
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid amide
  • Alpha-amino acid or derivatives
  • Medium-chain fatty acid
  • Amino fatty acid
  • Fatty acyl
  • Fatty acid
  • Fatty amide
  • N-acyl-amine
  • Amino acid or derivatives
  • Amino acid
  • Carboxamide group
  • Secondary carboxylic acid amide
  • Carboxylic acid
  • Dialkylthioether
  • Monocarboxylic acid or derivatives
  • Sulfenyl compound
  • Thioether
  • Amine
  • Organic oxygen compound
  • Primary aliphatic amine
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Carbonyl group
  • Organic oxide
  • Organopnictogen compound
  • Primary amine
  • Organonitrogen compound
  • Organooxygen compound
  • Organosulfur compound
  • 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-2.98Extrapolated
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility3.08 g/LALOGPS
logP-2.3ALOGPS
logP-3ChemAxon
logS-2ALOGPS
pKa (Strongest Acidic)3.88ChemAxon
pKa (Strongest Basic)10.21ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area118.44 ŲChemAxon
Rotatable Bond Count10ChemAxon
Refractivity72.2 m³·mol⁻¹ChemAxon
Polarizability30.76 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+164.41931661259
DarkChem[M-H]-159.24531661259
DeepCCS[M+H]+162.19630932474
DeepCCS[M-H]-158.84530932474
DeepCCS[M-2H]-194.87730932474
DeepCCS[M+Na]+170.91630932474
AllCCS[M+H]+163.132859911
AllCCS[M+H-H2O]+160.232859911
AllCCS[M+NH4]+165.732859911
AllCCS[M+Na]+166.532859911
AllCCS[M-H]-164.832859911
AllCCS[M+Na-2H]-165.532859911
AllCCS[M+HCOO]-166.432859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Methionyl-LysineCSCCC(N)C(=O)NC(CCCCN)C(O)=O3482.6Standard polar33892256
Methionyl-LysineCSCCC(N)C(=O)NC(CCCCN)C(O)=O2276.4Standard non polar33892256
Methionyl-LysineCSCCC(N)C(=O)NC(CCCCN)C(O)=O2517.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Methionyl-Lysine,1TMS,isomer #1CSCCC(N)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C2423.1Semi standard non polar33892256
Methionyl-Lysine,1TMS,isomer #2CSCCC(N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O2468.1Semi standard non polar33892256
Methionyl-Lysine,1TMS,isomer #3CSCCC(N)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O2569.2Semi standard non polar33892256
Methionyl-Lysine,1TMS,isomer #4CSCCC(N)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C2414.2Semi standard non polar33892256
Methionyl-Lysine,2TMS,isomer #1CSCCC(N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C2490.7Semi standard non polar33892256
Methionyl-Lysine,2TMS,isomer #1CSCCC(N[Si](C)(C)C)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C2487.6Standard non polar33892256
Methionyl-Lysine,2TMS,isomer #2CSCCC(N)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C2561.3Semi standard non polar33892256
Methionyl-Lysine,2TMS,isomer #2CSCCC(N)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C2473.8Standard non polar33892256
Methionyl-Lysine,2TMS,isomer #3CSCCC(N)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C2399.1Semi standard non polar33892256
Methionyl-Lysine,2TMS,isomer #3CSCCC(N)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C2413.2Standard non polar33892256
Methionyl-Lysine,2TMS,isomer #4CSCCC(N[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O2607.1Semi standard non polar33892256
Methionyl-Lysine,2TMS,isomer #4CSCCC(N[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O2555.4Standard non polar33892256
Methionyl-Lysine,2TMS,isomer #5CSCCC(C(=O)NC(CCCCN)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2605.4Semi standard non polar33892256
Methionyl-Lysine,2TMS,isomer #5CSCCC(C(=O)NC(CCCCN)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2571.7Standard non polar33892256
Methionyl-Lysine,2TMS,isomer #6CSCCC(N[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C2477.4Semi standard non polar33892256
Methionyl-Lysine,2TMS,isomer #6CSCCC(N[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C2479.2Standard non polar33892256
Methionyl-Lysine,2TMS,isomer #7CSCCC(N)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C2523.4Semi standard non polar33892256
Methionyl-Lysine,2TMS,isomer #7CSCCC(N)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C2521.2Standard non polar33892256
Methionyl-Lysine,2TMS,isomer #8CSCCC(N)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O2720.9Semi standard non polar33892256
Methionyl-Lysine,2TMS,isomer #8CSCCC(N)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O2623.5Standard non polar33892256
Methionyl-Lysine,3TMS,isomer #1CSCCC(N[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C2581.9Semi standard non polar33892256
Methionyl-Lysine,3TMS,isomer #1CSCCC(N[Si](C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C2582.9Standard non polar33892256
Methionyl-Lysine,3TMS,isomer #10CSCCC(N)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C2670.7Semi standard non polar33892256
Methionyl-Lysine,3TMS,isomer #10CSCCC(N)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C2656.4Standard non polar33892256
Methionyl-Lysine,3TMS,isomer #2CSCCC(C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2620.2Semi standard non polar33892256
Methionyl-Lysine,3TMS,isomer #2CSCCC(C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2620.4Standard non polar33892256
Methionyl-Lysine,3TMS,isomer #3CSCCC(N[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C2453.9Semi standard non polar33892256
Methionyl-Lysine,3TMS,isomer #3CSCCC(N[Si](C)(C)C)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C2552.9Standard non polar33892256
Methionyl-Lysine,3TMS,isomer #4CSCCC(N)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2503.4Semi standard non polar33892256
Methionyl-Lysine,3TMS,isomer #4CSCCC(N)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2562.4Standard non polar33892256
Methionyl-Lysine,3TMS,isomer #5CSCCC(N)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2716.4Semi standard non polar33892256
Methionyl-Lysine,3TMS,isomer #5CSCCC(N)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2622.6Standard non polar33892256
Methionyl-Lysine,3TMS,isomer #6CSCCC(C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2735.1Semi standard non polar33892256
Methionyl-Lysine,3TMS,isomer #6CSCCC(C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2672.0Standard non polar33892256
Methionyl-Lysine,3TMS,isomer #7CSCCC(N[Si](C)(C)C)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C2577.2Semi standard non polar33892256
Methionyl-Lysine,3TMS,isomer #7CSCCC(N[Si](C)(C)C)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C2619.4Standard non polar33892256
Methionyl-Lysine,3TMS,isomer #8CSCCC(N[Si](C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O2759.9Semi standard non polar33892256
Methionyl-Lysine,3TMS,isomer #8CSCCC(N[Si](C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O2672.6Standard non polar33892256
Methionyl-Lysine,3TMS,isomer #9CSCCC(C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2624.1Semi standard non polar33892256
Methionyl-Lysine,3TMS,isomer #9CSCCC(C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2605.1Standard non polar33892256
Methionyl-Lysine,4TMS,isomer #1CSCCC(C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2677.5Semi standard non polar33892256
Methionyl-Lysine,4TMS,isomer #1CSCCC(C(=O)NC(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2705.8Standard non polar33892256
Methionyl-Lysine,4TMS,isomer #2CSCCC(N[Si](C)(C)C)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2513.4Semi standard non polar33892256
Methionyl-Lysine,4TMS,isomer #2CSCCC(N[Si](C)(C)C)C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2657.7Standard non polar33892256
Methionyl-Lysine,4TMS,isomer #3CSCCC(N[Si](C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2720.8Semi standard non polar33892256
Methionyl-Lysine,4TMS,isomer #3CSCCC(N[Si](C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2685.6Standard non polar33892256
Methionyl-Lysine,4TMS,isomer #4CSCCC(C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2630.3Semi standard non polar33892256
Methionyl-Lysine,4TMS,isomer #4CSCCC(C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2680.7Standard non polar33892256
Methionyl-Lysine,4TMS,isomer #5CSCCC(N)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2651.4Semi standard non polar33892256
Methionyl-Lysine,4TMS,isomer #5CSCCC(N)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2686.9Standard non polar33892256
Methionyl-Lysine,4TMS,isomer #6CSCCC(C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2707.6Semi standard non polar33892256
Methionyl-Lysine,4TMS,isomer #6CSCCC(C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2734.2Standard non polar33892256
Methionyl-Lysine,4TMS,isomer #7CSCCC(C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2913.7Semi standard non polar33892256
Methionyl-Lysine,4TMS,isomer #7CSCCC(C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2786.3Standard non polar33892256
Methionyl-Lysine,4TMS,isomer #8CSCCC(N[Si](C)(C)C)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C2718.4Semi standard non polar33892256
Methionyl-Lysine,4TMS,isomer #8CSCCC(N[Si](C)(C)C)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C2719.9Standard non polar33892256
Methionyl-Lysine,5TMS,isomer #1CSCCC(C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2693.5Semi standard non polar33892256
Methionyl-Lysine,5TMS,isomer #1CSCCC(C(=O)N(C(CCCCN[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2770.4Standard non polar33892256
Methionyl-Lysine,5TMS,isomer #2CSCCC(C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2868.3Semi standard non polar33892256
Methionyl-Lysine,5TMS,isomer #2CSCCC(C(=O)NC(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2800.8Standard non polar33892256
Methionyl-Lysine,5TMS,isomer #3CSCCC(N[Si](C)(C)C)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2691.5Semi standard non polar33892256
Methionyl-Lysine,5TMS,isomer #3CSCCC(N[Si](C)(C)C)C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C2750.8Standard non polar33892256
Methionyl-Lysine,5TMS,isomer #4CSCCC(C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2915.2Semi standard non polar33892256
Methionyl-Lysine,5TMS,isomer #4CSCCC(C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2833.6Standard non polar33892256
Methionyl-Lysine,6TMS,isomer #1CSCCC(C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2911.5Semi standard non polar33892256
Methionyl-Lysine,6TMS,isomer #1CSCCC(C(=O)N(C(CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2865.9Standard non polar33892256
Methionyl-Lysine,1TBDMS,isomer #1CSCCC(N)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C2693.7Semi standard non polar33892256
Methionyl-Lysine,1TBDMS,isomer #2CSCCC(N[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN)C(=O)O2728.0Semi standard non polar33892256
Methionyl-Lysine,1TBDMS,isomer #3CSCCC(N)C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)O2834.1Semi standard non polar33892256
Methionyl-Lysine,1TBDMS,isomer #4CSCCC(N)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C2671.6Semi standard non polar33892256
Methionyl-Lysine,2TBDMS,isomer #1CSCCC(N[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C2992.2Semi standard non polar33892256
Methionyl-Lysine,2TBDMS,isomer #1CSCCC(N[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C2883.0Standard non polar33892256
Methionyl-Lysine,2TBDMS,isomer #2CSCCC(N)C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3081.1Semi standard non polar33892256
Methionyl-Lysine,2TBDMS,isomer #2CSCCC(N)C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2889.1Standard non polar33892256
Methionyl-Lysine,2TBDMS,isomer #3CSCCC(N)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2900.2Semi standard non polar33892256
Methionyl-Lysine,2TBDMS,isomer #3CSCCC(N)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2815.1Standard non polar33892256
Methionyl-Lysine,2TBDMS,isomer #4CSCCC(N[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)O3136.6Semi standard non polar33892256
Methionyl-Lysine,2TBDMS,isomer #4CSCCC(N[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)O2915.5Standard non polar33892256
Methionyl-Lysine,2TBDMS,isomer #5CSCCC(C(=O)NC(CCCCN)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3071.8Semi standard non polar33892256
Methionyl-Lysine,2TBDMS,isomer #5CSCCC(C(=O)NC(CCCCN)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2923.1Standard non polar33892256
Methionyl-Lysine,2TBDMS,isomer #6CSCCC(N[Si](C)(C)C(C)(C)C)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C2973.3Semi standard non polar33892256
Methionyl-Lysine,2TBDMS,isomer #6CSCCC(N[Si](C)(C)C(C)(C)C)C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C2861.5Standard non polar33892256
Methionyl-Lysine,2TBDMS,isomer #7CSCCC(N)C(=O)N(C(CCCCN[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3042.0Semi standard non polar33892256
Methionyl-Lysine,2TBDMS,isomer #7CSCCC(N)C(=O)N(C(CCCCN[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C2890.2Standard non polar33892256
Methionyl-Lysine,2TBDMS,isomer #8CSCCC(N)C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3195.6Semi standard non polar33892256
Methionyl-Lysine,2TBDMS,isomer #8CSCCC(N)C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2962.7Standard non polar33892256
Methionyl-Lysine,3TBDMS,isomer #1CSCCC(N[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3321.5Semi standard non polar33892256
Methionyl-Lysine,3TBDMS,isomer #1CSCCC(N[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3118.4Standard non polar33892256
Methionyl-Lysine,3TBDMS,isomer #10CSCCC(N)C(=O)N(C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3357.1Semi standard non polar33892256
Methionyl-Lysine,3TBDMS,isomer #10CSCCC(N)C(=O)N(C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3140.0Standard non polar33892256
Methionyl-Lysine,3TBDMS,isomer #2CSCCC(C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3313.6Semi standard non polar33892256
Methionyl-Lysine,3TBDMS,isomer #2CSCCC(C(=O)NC(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3125.2Standard non polar33892256
Methionyl-Lysine,3TBDMS,isomer #3CSCCC(N[Si](C)(C)C(C)(C)C)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3180.8Semi standard non polar33892256
Methionyl-Lysine,3TBDMS,isomer #3CSCCC(N[Si](C)(C)C(C)(C)C)C(=O)N(C(CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3090.9Standard non polar33892256
Methionyl-Lysine,3TBDMS,isomer #4CSCCC(N)C(=O)N(C(CCCCN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3237.2Semi standard non polar33892256
Methionyl-Lysine,3TBDMS,isomer #4CSCCC(N)C(=O)N(C(CCCCN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3105.2Standard non polar33892256
Methionyl-Lysine,3TBDMS,isomer #5CSCCC(N)C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3423.9Semi standard non polar33892256
Methionyl-Lysine,3TBDMS,isomer #5CSCCC(N)C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3161.6Standard non polar33892256
Methionyl-Lysine,3TBDMS,isomer #6CSCCC(C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3464.9Semi standard non polar33892256
Methionyl-Lysine,3TBDMS,isomer #6CSCCC(C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3167.7Standard non polar33892256
Methionyl-Lysine,3TBDMS,isomer #7CSCCC(N[Si](C)(C)C(C)(C)C)C(=O)N(C(CCCCN[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3313.4Semi standard non polar33892256
Methionyl-Lysine,3TBDMS,isomer #7CSCCC(N[Si](C)(C)C(C)(C)C)C(=O)N(C(CCCCN[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3112.3Standard non polar33892256
Methionyl-Lysine,3TBDMS,isomer #8CSCCC(N[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3473.4Semi standard non polar33892256
Methionyl-Lysine,3TBDMS,isomer #8CSCCC(N[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3190.9Standard non polar33892256
Methionyl-Lysine,3TBDMS,isomer #9CSCCC(C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3293.1Semi standard non polar33892256
Methionyl-Lysine,3TBDMS,isomer #9CSCCC(C(=O)N(C(CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3111.4Standard non polar33892256
Methionyl-Lysine,4TBDMS,isomer #1CSCCC(C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3636.3Semi standard non polar33892256
Methionyl-Lysine,4TBDMS,isomer #1CSCCC(C(=O)NC(CCCCN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3338.2Standard non polar33892256
Methionyl-Lysine,4TBDMS,isomer #2CSCCC(N[Si](C)(C)C(C)(C)C)C(=O)N(C(CCCCN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3477.2Semi standard non polar33892256
Methionyl-Lysine,4TBDMS,isomer #2CSCCC(N[Si](C)(C)C(C)(C)C)C(=O)N(C(CCCCN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3298.5Standard non polar33892256
Methionyl-Lysine,4TBDMS,isomer #3CSCCC(N[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3647.4Semi standard non polar33892256
Methionyl-Lysine,4TBDMS,isomer #3CSCCC(N[Si](C)(C)C(C)(C)C)C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3342.5Standard non polar33892256
Methionyl-Lysine,4TBDMS,isomer #4CSCCC(C(=O)N(C(CCCCN)C(=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)C3494.6Semi standard non polar33892256
Methionyl-Lysine,4TBDMS,isomer #4CSCCC(C(=O)N(C(CCCCN)C(=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)C3328.0Standard non polar33892256
Methionyl-Lysine,4TBDMS,isomer #5CSCCC(N)C(=O)N(C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3548.7Semi standard non polar33892256
Methionyl-Lysine,4TBDMS,isomer #5CSCCC(N)C(=O)N(C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3340.2Standard non polar33892256
Methionyl-Lysine,4TBDMS,isomer #6CSCCC(C(=O)N(C(CCCCN[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3628.3Semi standard non polar33892256
Methionyl-Lysine,4TBDMS,isomer #6CSCCC(C(=O)N(C(CCCCN[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3348.6Standard non polar33892256
Methionyl-Lysine,4TBDMS,isomer #7CSCCC(C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3772.9Semi standard non polar33892256
Methionyl-Lysine,4TBDMS,isomer #7CSCCC(C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3409.3Standard non polar33892256
Methionyl-Lysine,4TBDMS,isomer #8CSCCC(N[Si](C)(C)C(C)(C)C)C(=O)N(C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3626.8Semi standard non polar33892256
Methionyl-Lysine,4TBDMS,isomer #8CSCCC(N[Si](C)(C)C(C)(C)C)C(=O)N(C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3346.6Standard non polar33892256
Methionyl-Lysine,5TBDMS,isomer #1CSCCC(C(=O)N(C(CCCCN[Si](C)(C)C(C)(C)C)C(=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)C3810.5Semi standard non polar33892256
Methionyl-Lysine,5TBDMS,isomer #1CSCCC(C(=O)N(C(CCCCN[Si](C)(C)C(C)(C)C)C(=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)C3529.4Standard non polar33892256
Methionyl-Lysine,5TBDMS,isomer #2CSCCC(C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3956.8Semi standard non polar33892256
Methionyl-Lysine,5TBDMS,isomer #2CSCCC(C(=O)NC(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3560.4Standard non polar33892256
Methionyl-Lysine,5TBDMS,isomer #3CSCCC(N[Si](C)(C)C(C)(C)C)C(=O)N(C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3793.4Semi standard non polar33892256
Methionyl-Lysine,5TBDMS,isomer #3CSCCC(N[Si](C)(C)C(C)(C)C)C(=O)N(C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3516.8Standard non polar33892256
Methionyl-Lysine,5TBDMS,isomer #4CSCCC(C(=O)N(C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3962.9Semi standard non polar33892256
Methionyl-Lysine,5TBDMS,isomer #4CSCCC(C(=O)N(C(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3576.4Standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Methionyl-Lysine GC-MS (Non-derivatized) - 70eV, Positivesplash10-001i-9320000000-6f94f35d3f8a971778e22017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Methionyl-Lysine GC-MS (1 TMS) - 70eV, Positivesplash10-00e9-9101000000-a7036f5adac13f87bcb52017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Methionyl-Lysine 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 - Methionyl-Lysine 10V, Positive-QTOFsplash10-0in9-0490000000-a238eaa956ed41163e802017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Methionyl-Lysine 20V, Positive-QTOFsplash10-0uei-5940000000-8f273de6842e77baaaee2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Methionyl-Lysine 40V, Positive-QTOFsplash10-0pbl-9200000000-217151e8bc3d1bc452162017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Methionyl-Lysine 10V, Negative-QTOFsplash10-004j-5090000000-b5c0f7684f8ecd2cba9b2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Methionyl-Lysine 20V, Negative-QTOFsplash10-0002-9320000000-2c31bfaf82ce2a4144f32017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Methionyl-Lysine 40V, Negative-QTOFsplash10-0002-9200000000-b150df80156a643556232017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Methionyl-Lysine 10V, Positive-QTOFsplash10-004i-0190000000-b0e92ed069a2c67720002021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Methionyl-Lysine 20V, Positive-QTOFsplash10-01u1-4790000000-962574b5082ff8db628f2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Methionyl-Lysine 40V, Positive-QTOFsplash10-0r00-9200000000-63c51b5081a982f04e282021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Methionyl-Lysine 10V, Negative-QTOFsplash10-004i-0090000000-d23201051b541414c7882021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Methionyl-Lysine 20V, Negative-QTOFsplash10-0002-1910000000-927ba19fdeb74fdfb3e42021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Methionyl-Lysine 40V, Negative-QTOFsplash10-0002-9300000000-0d77154c8522f05cfcc92021-09-23Wishart 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 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 IDFDB111999
KNApSAcK IDNot Available
Chemspider ID16568351
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound18218229
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Li XM, Trinh KY, Hew CL: Expression and characterization of an active and thermally more stable recombinant antifreeze polypeptide from ocean pout, Macrozoarces americanus, in Escherichia coli: improved expression by the modification of the secondary structure of the mRNA. Protein Eng. 1991 Dec;4(8):995-1002. [PubMed:1817264 ]
  2. McFadden RG, Vickers KE: Bradykinin augments the in vitro migration of nonsensitized lymphocytes. Clin Invest Med. 1989 Aug;12(4):247-53. [PubMed:2562502 ]
  3. Boric MP, Figueroa XF, Albertini R, Roblero JS: Croxatto's fifty-year pursuit: from pepsanurin to the discovery of a new kininogen-derived peptide (PU-D1). Biol Res. 1998;31(3):117-29. [PubMed:9830498 ]