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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2013-05-17 01:21:08 UTC
Update Date2022-03-07 03:17:45 UTC
HMDB IDHMDB0060442
Secondary Accession Numbers
  • HMDB60442
Metabolite Identification
Common Namebeta-Alanyl-L-lysine
Descriptionbeta-Alanyl-L-lysine, also known as betaala-lys or β-alanyl-L-lysine, belongs to the class of organic compounds known as hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond. beta-Alanyl-L-lysine is a very strong basic compound (based on its pKa).
Structure
Data?1563866061
Synonyms
ValueSource
BetaAla-lysChEBI
b-Alanyl-L-lysineGenerator
Β-alanyl-L-lysineGenerator
Chemical FormulaC9H19N3O3
Average Molecular Weight217.2655
Monoisotopic Molecular Weight217.142641489
IUPAC Name(2S)-6-amino-2-[(3-amino-1-hydroxypropylidene)amino]hexanoic acid
Traditional Nameβ-alanyl-L-lysine
CAS Registry NumberNot Available
SMILES
[H][C@@](CCCCN)(N=C(O)CCN)C(O)=O
InChI Identifier
InChI=1S/C9H19N3O3/c10-5-2-1-3-7(9(14)15)12-8(13)4-6-11/h7H,1-6,10-11H2,(H,12,13)(H,14,15)/t7-/m0/s1
InChI KeyPLDCWKCPEXNWJH-ZETCQYMHSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassPeptidomimetics
Sub ClassHybrid peptides
Direct ParentHybrid peptides
Alternative Parents
Substituents
  • Hybrid peptide
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • N-acyl-l-alpha-amino acid
  • Beta amino acid or derivatives
  • Alpha-amino acid or derivatives
  • Medium-chain fatty acid
  • Amino fatty acid
  • Fatty acyl
  • Fatty acid
  • Secondary carboxylic acid amide
  • Amino acid or derivatives
  • Carboxamide group
  • Amino acid
  • Carboxylic acid derivative
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Primary aliphatic amine
  • Organic oxide
  • Organic nitrogen compound
  • Organooxygen compound
  • Carbonyl group
  • Organopnictogen compound
  • Organic oxygen compound
  • Primary amine
  • Amine
  • Organonitrogen compound
  • Hydrocarbon derivative
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
DispositionNot Available
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility2.73 g/LALOGPS
logP-3.1ALOGPS
logP-5.1ChemAxon
logS-1.9ALOGPS
pKa (Strongest Acidic)3.91ChemAxon
pKa (Strongest Basic)10.56ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area121.93 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity55.83 m³·mol⁻¹ChemAxon
Polarizability22.92 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]+151.32931661259
DarkChem[M-H]-149.23431661259
DeepCCS[M+H]+145.73730932474
DeepCCS[M-H]-143.34230932474
DeepCCS[M-2H]-177.64630932474
DeepCCS[M+Na]+152.10530932474
AllCCS[M+H]+147.932859911
AllCCS[M+H-H2O]+144.532859911
AllCCS[M+NH4]+151.132859911
AllCCS[M+Na]+152.032859911
AllCCS[M-H]-149.432859911
AllCCS[M+Na-2H]-150.332859911
AllCCS[M+HCOO]-151.332859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
beta-Alanyl-L-lysine[H][C@@](CCCCN)(N=C(O)CCN)C(O)=O2954.6Standard polar33892256
beta-Alanyl-L-lysine[H][C@@](CCCCN)(N=C(O)CCN)C(O)=O2236.4Standard non polar33892256
beta-Alanyl-L-lysine[H][C@@](CCCCN)(N=C(O)CCN)C(O)=O2056.8Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
beta-Alanyl-L-lysine,1TMS,isomer #1C[Si](C)(C)OC(CCN)=N[C@@H](CCCCN)C(=O)O2095.0Semi standard non polar33892256
beta-Alanyl-L-lysine,1TMS,isomer #2C[Si](C)(C)OC(=O)[C@H](CCCCN)N=C(O)CCN2037.0Semi standard non polar33892256
beta-Alanyl-L-lysine,1TMS,isomer #3C[Si](C)(C)NCCCC[C@H](N=C(O)CCN)C(=O)O2235.7Semi standard non polar33892256
beta-Alanyl-L-lysine,1TMS,isomer #4C[Si](C)(C)NCCC(O)=N[C@@H](CCCCN)C(=O)O2207.7Semi standard non polar33892256
beta-Alanyl-L-lysine,2TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CCCCN)N=C(CCN)O[Si](C)(C)C2094.4Semi standard non polar33892256
beta-Alanyl-L-lysine,2TMS,isomer #2C[Si](C)(C)NCCC(=N[C@@H](CCCCN)C(=O)O)O[Si](C)(C)C2191.3Semi standard non polar33892256
beta-Alanyl-L-lysine,2TMS,isomer #3C[Si](C)(C)NCCCC[C@H](N=C(CCN)O[Si](C)(C)C)C(=O)O2224.7Semi standard non polar33892256
beta-Alanyl-L-lysine,2TMS,isomer #4C[Si](C)(C)NCCCC[C@H](N=C(O)CCN)C(=O)O[Si](C)(C)C2154.9Semi standard non polar33892256
beta-Alanyl-L-lysine,2TMS,isomer #5C[Si](C)(C)NCCC(O)=N[C@@H](CCCCN)C(=O)O[Si](C)(C)C2157.7Semi standard non polar33892256
beta-Alanyl-L-lysine,2TMS,isomer #6C[Si](C)(C)NCCCC[C@H](N=C(O)CCN[Si](C)(C)C)C(=O)O2327.7Semi standard non polar33892256
beta-Alanyl-L-lysine,2TMS,isomer #7C[Si](C)(C)N(CCCC[C@H](N=C(O)CCN)C(=O)O)[Si](C)(C)C2335.2Semi standard non polar33892256
beta-Alanyl-L-lysine,2TMS,isomer #8C[Si](C)(C)N(CCC(O)=N[C@@H](CCCCN)C(=O)O)[Si](C)(C)C2325.1Semi standard non polar33892256
beta-Alanyl-L-lysine,3TMS,isomer #1C[Si](C)(C)NCCCC[C@H](N=C(CCN)O[Si](C)(C)C)C(=O)O[Si](C)(C)C2220.6Semi standard non polar33892256
beta-Alanyl-L-lysine,3TMS,isomer #1C[Si](C)(C)NCCCC[C@H](N=C(CCN)O[Si](C)(C)C)C(=O)O[Si](C)(C)C2207.3Standard non polar33892256
beta-Alanyl-L-lysine,3TMS,isomer #1C[Si](C)(C)NCCCC[C@H](N=C(CCN)O[Si](C)(C)C)C(=O)O[Si](C)(C)C3133.1Standard polar33892256
beta-Alanyl-L-lysine,3TMS,isomer #10C[Si](C)(C)NCCCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O2431.5Semi standard non polar33892256
beta-Alanyl-L-lysine,3TMS,isomer #10C[Si](C)(C)NCCCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O2398.2Standard non polar33892256
beta-Alanyl-L-lysine,3TMS,isomer #10C[Si](C)(C)NCCCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O3147.5Standard polar33892256
beta-Alanyl-L-lysine,3TMS,isomer #2C[Si](C)(C)NCCC(=N[C@@H](CCCCN)C(=O)O[Si](C)(C)C)O[Si](C)(C)C2191.4Semi standard non polar33892256
beta-Alanyl-L-lysine,3TMS,isomer #2C[Si](C)(C)NCCC(=N[C@@H](CCCCN)C(=O)O[Si](C)(C)C)O[Si](C)(C)C2206.5Standard non polar33892256
beta-Alanyl-L-lysine,3TMS,isomer #2C[Si](C)(C)NCCC(=N[C@@H](CCCCN)C(=O)O[Si](C)(C)C)O[Si](C)(C)C3223.6Standard polar33892256
beta-Alanyl-L-lysine,3TMS,isomer #3C[Si](C)(C)NCCCC[C@H](N=C(CCN[Si](C)(C)C)O[Si](C)(C)C)C(=O)O2317.0Semi standard non polar33892256
beta-Alanyl-L-lysine,3TMS,isomer #3C[Si](C)(C)NCCCC[C@H](N=C(CCN[Si](C)(C)C)O[Si](C)(C)C)C(=O)O2356.0Standard non polar33892256
beta-Alanyl-L-lysine,3TMS,isomer #3C[Si](C)(C)NCCCC[C@H](N=C(CCN[Si](C)(C)C)O[Si](C)(C)C)C(=O)O3021.3Standard polar33892256
beta-Alanyl-L-lysine,3TMS,isomer #4C[Si](C)(C)OC(CCN([Si](C)(C)C)[Si](C)(C)C)=N[C@@H](CCCCN)C(=O)O2351.9Semi standard non polar33892256
beta-Alanyl-L-lysine,3TMS,isomer #4C[Si](C)(C)OC(CCN([Si](C)(C)C)[Si](C)(C)C)=N[C@@H](CCCCN)C(=O)O2290.1Standard non polar33892256
beta-Alanyl-L-lysine,3TMS,isomer #4C[Si](C)(C)OC(CCN([Si](C)(C)C)[Si](C)(C)C)=N[C@@H](CCCCN)C(=O)O3351.9Standard polar33892256
beta-Alanyl-L-lysine,3TMS,isomer #5C[Si](C)(C)OC(CCN)=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O2375.8Semi standard non polar33892256
beta-Alanyl-L-lysine,3TMS,isomer #5C[Si](C)(C)OC(CCN)=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O2276.8Standard non polar33892256
beta-Alanyl-L-lysine,3TMS,isomer #5C[Si](C)(C)OC(CCN)=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O3266.0Standard polar33892256
beta-Alanyl-L-lysine,3TMS,isomer #6C[Si](C)(C)NCCCC[C@H](N=C(O)CCN[Si](C)(C)C)C(=O)O[Si](C)(C)C2267.1Semi standard non polar33892256
beta-Alanyl-L-lysine,3TMS,isomer #6C[Si](C)(C)NCCCC[C@H](N=C(O)CCN[Si](C)(C)C)C(=O)O[Si](C)(C)C2342.9Standard non polar33892256
beta-Alanyl-L-lysine,3TMS,isomer #6C[Si](C)(C)NCCCC[C@H](N=C(O)CCN[Si](C)(C)C)C(=O)O[Si](C)(C)C2972.8Standard polar33892256
beta-Alanyl-L-lysine,3TMS,isomer #7C[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N=C(O)CCN2307.3Semi standard non polar33892256
beta-Alanyl-L-lysine,3TMS,isomer #7C[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N=C(O)CCN2272.2Standard non polar33892256
beta-Alanyl-L-lysine,3TMS,isomer #7C[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N=C(O)CCN3216.1Standard polar33892256
beta-Alanyl-L-lysine,3TMS,isomer #8C[Si](C)(C)OC(=O)[C@H](CCCCN)N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C2312.5Semi standard non polar33892256
beta-Alanyl-L-lysine,3TMS,isomer #8C[Si](C)(C)OC(=O)[C@H](CCCCN)N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C2289.4Standard non polar33892256
beta-Alanyl-L-lysine,3TMS,isomer #8C[Si](C)(C)OC(=O)[C@H](CCCCN)N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C3314.6Standard polar33892256
beta-Alanyl-L-lysine,3TMS,isomer #9C[Si](C)(C)NCCC(O)=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O2441.7Semi standard non polar33892256
beta-Alanyl-L-lysine,3TMS,isomer #9C[Si](C)(C)NCCC(O)=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O2384.5Standard non polar33892256
beta-Alanyl-L-lysine,3TMS,isomer #9C[Si](C)(C)NCCC(O)=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O3158.4Standard polar33892256
beta-Alanyl-L-lysine,4TMS,isomer #1C[Si](C)(C)NCCCC[C@H](N=C(CCN[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C2295.2Semi standard non polar33892256
beta-Alanyl-L-lysine,4TMS,isomer #1C[Si](C)(C)NCCCC[C@H](N=C(CCN[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C2360.6Standard non polar33892256
beta-Alanyl-L-lysine,4TMS,isomer #1C[Si](C)(C)NCCCC[C@H](N=C(CCN[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C2572.0Standard polar33892256
beta-Alanyl-L-lysine,4TMS,isomer #2C[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N=C(CCN)O[Si](C)(C)C2370.3Semi standard non polar33892256
beta-Alanyl-L-lysine,4TMS,isomer #2C[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N=C(CCN)O[Si](C)(C)C2306.5Standard non polar33892256
beta-Alanyl-L-lysine,4TMS,isomer #2C[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N=C(CCN)O[Si](C)(C)C3008.0Standard polar33892256
beta-Alanyl-L-lysine,4TMS,isomer #3C[Si](C)(C)OC(=O)[C@H](CCCCN)N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2369.0Semi standard non polar33892256
beta-Alanyl-L-lysine,4TMS,isomer #3C[Si](C)(C)OC(=O)[C@H](CCCCN)N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2313.3Standard non polar33892256
beta-Alanyl-L-lysine,4TMS,isomer #3C[Si](C)(C)OC(=O)[C@H](CCCCN)N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C3088.4Standard polar33892256
beta-Alanyl-L-lysine,4TMS,isomer #4C[Si](C)(C)NCCC(=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C2474.3Semi standard non polar33892256
beta-Alanyl-L-lysine,4TMS,isomer #4C[Si](C)(C)NCCC(=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C2405.5Standard non polar33892256
beta-Alanyl-L-lysine,4TMS,isomer #4C[Si](C)(C)NCCC(=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)O[Si](C)(C)C2859.3Standard polar33892256
beta-Alanyl-L-lysine,4TMS,isomer #5C[Si](C)(C)NCCCC[C@H](N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O2463.1Semi standard non polar33892256
beta-Alanyl-L-lysine,4TMS,isomer #5C[Si](C)(C)NCCCC[C@H](N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O2425.6Standard non polar33892256
beta-Alanyl-L-lysine,4TMS,isomer #5C[Si](C)(C)NCCCC[C@H](N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O2859.1Standard polar33892256
beta-Alanyl-L-lysine,4TMS,isomer #6C[Si](C)(C)NCCC(O)=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2420.9Semi standard non polar33892256
beta-Alanyl-L-lysine,4TMS,isomer #6C[Si](C)(C)NCCC(O)=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2412.8Standard non polar33892256
beta-Alanyl-L-lysine,4TMS,isomer #6C[Si](C)(C)NCCC(O)=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2822.1Standard polar33892256
beta-Alanyl-L-lysine,4TMS,isomer #7C[Si](C)(C)NCCCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2414.6Semi standard non polar33892256
beta-Alanyl-L-lysine,4TMS,isomer #7C[Si](C)(C)NCCCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2419.8Standard non polar33892256
beta-Alanyl-L-lysine,4TMS,isomer #7C[Si](C)(C)NCCCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C2816.5Standard polar33892256
beta-Alanyl-L-lysine,4TMS,isomer #8C[Si](C)(C)N(CCCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C2609.4Semi standard non polar33892256
beta-Alanyl-L-lysine,4TMS,isomer #8C[Si](C)(C)N(CCCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C2485.8Standard non polar33892256
beta-Alanyl-L-lysine,4TMS,isomer #8C[Si](C)(C)N(CCCC[C@H](N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O)[Si](C)(C)C3000.7Standard polar33892256
beta-Alanyl-L-lysine,5TMS,isomer #1C[Si](C)(C)NCCC(=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C2458.1Semi standard non polar33892256
beta-Alanyl-L-lysine,5TMS,isomer #1C[Si](C)(C)NCCC(=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C2413.3Standard non polar33892256
beta-Alanyl-L-lysine,5TMS,isomer #1C[Si](C)(C)NCCC(=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C2484.6Standard polar33892256
beta-Alanyl-L-lysine,5TMS,isomer #2C[Si](C)(C)NCCCC[C@H](N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C2453.2Semi standard non polar33892256
beta-Alanyl-L-lysine,5TMS,isomer #2C[Si](C)(C)NCCCC[C@H](N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C2422.7Standard non polar33892256
beta-Alanyl-L-lysine,5TMS,isomer #2C[Si](C)(C)NCCCC[C@H](N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C)C(=O)O[Si](C)(C)C2483.5Standard polar33892256
beta-Alanyl-L-lysine,5TMS,isomer #3C[Si](C)(C)OC(CCN([Si](C)(C)C)[Si](C)(C)C)=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O2664.9Semi standard non polar33892256
beta-Alanyl-L-lysine,5TMS,isomer #3C[Si](C)(C)OC(CCN([Si](C)(C)C)[Si](C)(C)C)=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O2485.7Standard non polar33892256
beta-Alanyl-L-lysine,5TMS,isomer #3C[Si](C)(C)OC(CCN([Si](C)(C)C)[Si](C)(C)C)=N[C@@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)C(=O)O2760.2Standard polar33892256
beta-Alanyl-L-lysine,5TMS,isomer #4C[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C2622.5Semi standard non polar33892256
beta-Alanyl-L-lysine,5TMS,isomer #4C[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C2497.1Standard non polar33892256
beta-Alanyl-L-lysine,5TMS,isomer #4C[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N=C(O)CCN([Si](C)(C)C)[Si](C)(C)C2731.6Standard polar33892256
beta-Alanyl-L-lysine,6TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2701.7Semi standard non polar33892256
beta-Alanyl-L-lysine,6TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2486.9Standard non polar33892256
beta-Alanyl-L-lysine,6TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C)[Si](C)(C)C)N=C(CCN([Si](C)(C)C)[Si](C)(C)C)O[Si](C)(C)C2436.0Standard polar33892256
beta-Alanyl-L-lysine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(CCN)=N[C@@H](CCCCN)C(=O)O2312.9Semi standard non polar33892256
beta-Alanyl-L-lysine,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN)N=C(O)CCN2309.1Semi standard non polar33892256
beta-Alanyl-L-lysine,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)NCCCC[C@H](N=C(O)CCN)C(=O)O2460.8Semi standard non polar33892256
beta-Alanyl-L-lysine,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)NCCC(O)=N[C@@H](CCCCN)C(=O)O2433.3Semi standard non polar33892256
beta-Alanyl-L-lysine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN)N=C(CCN)O[Si](C)(C)C(C)(C)C2539.4Semi standard non polar33892256
beta-Alanyl-L-lysine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCC(=N[C@@H](CCCCN)C(=O)O)O[Si](C)(C)C(C)(C)C2638.7Semi standard non polar33892256
beta-Alanyl-L-lysine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NCCCC[C@H](N=C(CCN)O[Si](C)(C)C(C)(C)C)C(=O)O2667.6Semi standard non polar33892256
beta-Alanyl-L-lysine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NCCCC[C@H](N=C(O)CCN)C(=O)O[Si](C)(C)C(C)(C)C2624.8Semi standard non polar33892256
beta-Alanyl-L-lysine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)NCCC(O)=N[C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C2630.9Semi standard non polar33892256
beta-Alanyl-L-lysine,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)NCCCC[C@H](N=C(O)CCN[Si](C)(C)C(C)(C)C)C(=O)O2816.5Semi standard non polar33892256
beta-Alanyl-L-lysine,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)N(CCCC[C@H](N=C(O)CCN)C(=O)O)[Si](C)(C)C(C)(C)C2765.2Semi standard non polar33892256
beta-Alanyl-L-lysine,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)N(CCC(O)=N[C@@H](CCCCN)C(=O)O)[Si](C)(C)C(C)(C)C2771.7Semi standard non polar33892256
beta-Alanyl-L-lysine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCCC[C@H](N=C(CCN)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2842.4Semi standard non polar33892256
beta-Alanyl-L-lysine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCCC[C@H](N=C(CCN)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2710.2Standard non polar33892256
beta-Alanyl-L-lysine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCCC[C@H](N=C(CCN)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3150.5Standard polar33892256
beta-Alanyl-L-lysine,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)NCCCC[C@H](N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3124.7Semi standard non polar33892256
beta-Alanyl-L-lysine,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)NCCCC[C@H](N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2869.9Standard non polar33892256
beta-Alanyl-L-lysine,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)NCCCC[C@H](N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3230.6Standard polar33892256
beta-Alanyl-L-lysine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCC(=N[C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2828.5Semi standard non polar33892256
beta-Alanyl-L-lysine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCC(=N[C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2711.2Standard non polar33892256
beta-Alanyl-L-lysine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCC(=N[C@@H](CCCCN)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3221.8Standard polar33892256
beta-Alanyl-L-lysine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NCCCC[C@H](N=C(CCN[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O2963.6Semi standard non polar33892256
beta-Alanyl-L-lysine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NCCCC[C@H](N=C(CCN[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O2770.5Standard non polar33892256
beta-Alanyl-L-lysine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NCCCC[C@H](N=C(CCN[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O3106.5Standard polar33892256
beta-Alanyl-L-lysine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@@H](CCCCN)C(=O)O2998.4Semi standard non polar33892256
beta-Alanyl-L-lysine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@@H](CCCCN)C(=O)O2758.3Standard non polar33892256
beta-Alanyl-L-lysine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@@H](CCCCN)C(=O)O3311.5Standard polar33892256
beta-Alanyl-L-lysine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(CCN)=N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3004.0Semi standard non polar33892256
beta-Alanyl-L-lysine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(CCN)=N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2747.3Standard non polar33892256
beta-Alanyl-L-lysine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(CCN)=N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3240.9Standard polar33892256
beta-Alanyl-L-lysine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)NCCCC[C@H](N=C(O)CCN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2922.7Semi standard non polar33892256
beta-Alanyl-L-lysine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)NCCCC[C@H](N=C(O)CCN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2831.8Standard non polar33892256
beta-Alanyl-L-lysine,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)NCCCC[C@H](N=C(O)CCN[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3090.0Standard polar33892256
beta-Alanyl-L-lysine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(O)CCN2958.5Semi standard non polar33892256
beta-Alanyl-L-lysine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(O)CCN2803.6Standard non polar33892256
beta-Alanyl-L-lysine,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(O)CCN3225.7Standard polar33892256
beta-Alanyl-L-lysine,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN)N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2982.0Semi standard non polar33892256
beta-Alanyl-L-lysine,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN)N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2808.7Standard non polar33892256
beta-Alanyl-L-lysine,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN)N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3311.4Standard polar33892256
beta-Alanyl-L-lysine,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)NCCC(O)=N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3102.3Semi standard non polar33892256
beta-Alanyl-L-lysine,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)NCCC(O)=N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O2866.2Standard non polar33892256
beta-Alanyl-L-lysine,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)NCCC(O)=N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3236.1Standard polar33892256
beta-Alanyl-L-lysine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCCC[C@H](N=C(CCN[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3107.0Semi standard non polar33892256
beta-Alanyl-L-lysine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCCC[C@H](N=C(CCN[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2927.3Standard non polar33892256
beta-Alanyl-L-lysine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCCC[C@H](N=C(CCN[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2932.0Standard polar33892256
beta-Alanyl-L-lysine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(CCN)O[Si](C)(C)C(C)(C)C3208.4Semi standard non polar33892256
beta-Alanyl-L-lysine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(CCN)O[Si](C)(C)C(C)(C)C2913.9Standard non polar33892256
beta-Alanyl-L-lysine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(CCN)O[Si](C)(C)C(C)(C)C3126.9Standard polar33892256
beta-Alanyl-L-lysine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN)N=C(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3220.7Semi standard non polar33892256
beta-Alanyl-L-lysine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN)N=C(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2930.9Standard non polar33892256
beta-Alanyl-L-lysine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN)N=C(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C3186.9Standard polar33892256
beta-Alanyl-L-lysine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)NCCC(=N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C3317.4Semi standard non polar33892256
beta-Alanyl-L-lysine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)NCCC(=N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C2968.7Standard non polar33892256
beta-Alanyl-L-lysine,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)NCCC(=N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C3103.2Standard polar33892256
beta-Alanyl-L-lysine,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)NCCCC[C@H](N=C(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O3336.7Semi standard non polar33892256
beta-Alanyl-L-lysine,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)NCCCC[C@H](N=C(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O2983.6Standard non polar33892256
beta-Alanyl-L-lysine,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)NCCCC[C@H](N=C(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O3100.6Standard polar33892256
beta-Alanyl-L-lysine,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)NCCC(O)=N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3269.4Semi standard non polar33892256
beta-Alanyl-L-lysine,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)NCCC(O)=N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3064.2Standard non polar33892256
beta-Alanyl-L-lysine,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)NCCC(O)=N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3097.8Standard polar33892256
beta-Alanyl-L-lysine,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)NCCCC[C@H](N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3295.6Semi standard non polar33892256
beta-Alanyl-L-lysine,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)NCCCC[C@H](N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3063.8Standard non polar33892256
beta-Alanyl-L-lysine,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)NCCCC[C@H](N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3090.4Standard polar33892256
beta-Alanyl-L-lysine,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)N(CCCC[C@H](N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3430.6Semi standard non polar33892256
beta-Alanyl-L-lysine,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)N(CCCC[C@H](N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3106.3Standard non polar33892256
beta-Alanyl-L-lysine,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)N(CCCC[C@H](N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C3213.4Standard polar33892256
beta-Alanyl-L-lysine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCC(=N[C@@H](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)O[Si](C)(C)C(C)(C)C3499.8Semi standard non polar33892256
beta-Alanyl-L-lysine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCC(=N[C@@H](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)O[Si](C)(C)C(C)(C)C3115.5Standard non polar33892256
beta-Alanyl-L-lysine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCC(=N[C@@H](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)O[Si](C)(C)C(C)(C)C2940.7Standard polar33892256
beta-Alanyl-L-lysine,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCCC[C@H](N=C(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3511.9Semi standard non polar33892256
beta-Alanyl-L-lysine,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCCC[C@H](N=C(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3129.3Standard non polar33892256
beta-Alanyl-L-lysine,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCCC[C@H](N=C(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2937.9Standard polar33892256
beta-Alanyl-L-lysine,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3650.5Semi standard non polar33892256
beta-Alanyl-L-lysine,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3172.3Standard non polar33892256
beta-Alanyl-L-lysine,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N[C@@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(=O)O3072.7Standard polar33892256
beta-Alanyl-L-lysine,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3622.0Semi standard non polar33892256
beta-Alanyl-L-lysine,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3278.7Standard non polar33892256
beta-Alanyl-L-lysine,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C(O)CCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3074.7Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental GC-MSGC-MS Spectrum - beta-Alanyl-L-lysine GC-MS (6 TMS)splash10-00di-2900000000-35a2ae3245883dcd75312014-06-16HMDB team, MONA, MassBankView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - beta-Alanyl-L-lysine GC-MS (Non-derivatized) - 70eV, Positivesplash10-001i-9300000000-79aef00733b0e605aa722017-09-20Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - beta-Alanyl-L-lysine GC-MS (2 TMS) - 70eV, Positivesplash10-000x-9261000000-f346c0be14e92641fdcb2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - beta-Alanyl-L-lysine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - beta-Alanyl-L-lysine 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 - beta-Alanyl-L-lysine LC-ESI-QQ , negative-QTOFsplash10-014i-0090000000-898ea7ba043c3008f8dc2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - beta-Alanyl-L-lysine LC-ESI-QQ , negative-QTOFsplash10-0002-0920000000-35dcd54078fd75bab2282017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - beta-Alanyl-L-lysine LC-ESI-QQ , negative-QTOFsplash10-0002-0900000000-ed856e89e9b6148eb9662017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - beta-Alanyl-L-lysine LC-ESI-QQ , negative-QTOFsplash10-0002-3900000000-4c3bbff7e9730dffe1682017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - beta-Alanyl-L-lysine LC-ESI-QQ , negative-QTOFsplash10-052f-9100000000-fe3091a4fed02242560c2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - beta-Alanyl-L-lysine LC-ESI-QQ , positive-QTOFsplash10-014i-0090000000-7b406148f08c14c7a44b2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - beta-Alanyl-L-lysine LC-ESI-QQ , positive-QTOFsplash10-0fc0-2930000000-933854950963fd87a8ca2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - beta-Alanyl-L-lysine LC-ESI-QQ , positive-QTOFsplash10-001i-9400000000-6198555ac3c0ce37cc5b2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - beta-Alanyl-L-lysine LC-ESI-QQ , positive-QTOFsplash10-001i-9000000000-a8dd31fd9ceb0d562d992017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - beta-Alanyl-L-lysine LC-ESI-QQ , positive-QTOFsplash10-001i-9000000000-5a39101fb7012275ee9f2017-09-14HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - beta-Alanyl-L-lysine 10V, Positive-QTOFsplash10-0udj-0890000000-b8e72a79c1783bdd61ea2017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - beta-Alanyl-L-lysine 20V, Positive-QTOFsplash10-0002-4910000000-b4e2b294fdf9691e4ac42017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - beta-Alanyl-L-lysine 40V, Positive-QTOFsplash10-002b-9500000000-3492434f3b2437af54602017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - beta-Alanyl-L-lysine 10V, Negative-QTOFsplash10-014i-1790000000-e4c37fbb2f897e2a7f9d2017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - beta-Alanyl-L-lysine 20V, Negative-QTOFsplash10-00xs-3910000000-b0b14d0f0570977926f62017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - beta-Alanyl-L-lysine 40V, Negative-QTOFsplash10-0007-9200000000-c89f064036bba7120efc2017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - beta-Alanyl-L-lysine 10V, Positive-QTOFsplash10-015a-0890000000-f742754d1c017da7a6b02021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - beta-Alanyl-L-lysine 20V, Positive-QTOFsplash10-001i-2910000000-017e2bb633c3107a776f2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - beta-Alanyl-L-lysine 40V, Positive-QTOFsplash10-000t-9200000000-28b882bb89d39d74ea452021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - beta-Alanyl-L-lysine 10V, Negative-QTOFsplash10-014j-0970000000-576c410a15931df9f56a2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - beta-Alanyl-L-lysine 20V, Negative-QTOFsplash10-0007-0900000000-f08385f67ded8393a9c82021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - beta-Alanyl-L-lysine 40V, Negative-QTOFsplash10-0005-9200000000-b19a34955419fe790dc62021-10-12Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-24Wishart 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 IDNot Available
KNApSAcK IDNot Available
Chemspider ID389523
KEGG Compound IDC05341
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound440638
PDB IDNot Available
ChEBI ID27749
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. Magrane M: UniProt Knowledgebase: a hub of integrated protein data. Database (Oxford). 2011 Mar 29;2011:bar009. doi: 10.1093/database/bar009. Print 2011. [PubMed:21447597 ]

Enzymes

General function:
Involved in catalytic activity
Specific function:
Catalyzes the synthesis of carnosine and homocarnosine. Carnosine is synthesized more efficiently than homocarnosine.
Gene Name:
CARNS1
Uniprot ID:
A5YM72
Molecular weight:
101318.725
Reactions
Adenosine triphosphate + L-Lysine + beta-Alanine → Adenosine monophosphate + Pyrophosphate + beta-Alanyl-L-lysinedetails