Hmdb loader
Record Information
Version5.0
StatusDetected and Quantified
Creation Date2006-05-22 14:17:33 UTC
Update Date2023-02-21 17:16:05 UTC
HMDB IDHMDB0002038
Secondary Accession Numbers
  • HMDB02038
Metabolite Identification
Common NameN(6)-Methyllysine
DescriptionN(6)-Methyllysine is a naturally occurring amino acid found in human biofluids. N-monomethyl-lysine is generated by metabolic transmethylation of endogenous lysine. Lysine methylation displays the highest degree of complexity among known covalent histone modifications, with each site of methylation regulating the association of different effector molecules. The versatility of lysine methylation marks is perhaps best exemplified by modifications implicated in transcriptional regulation as well as being required for double-strand break repair in several organisms. Identification of the numerous biological functions encoded by histone lysine methylation is a major area of research interest, as these mechanisms are intimately associated with cellular senescence, genomic instability, and leukemogenesis. While multiple sites of lysine methylation have been linked with gene activation, each modification is distributed to unique positions across the active gene. (PMID: 17030614 , 1122639 , 15756599 , 3111294 ).
Structure
Data?1676999765
Synonyms
ValueSource
(S)-2-Amino-6-methylaminohexanoic acidChEBI
epsilon-MethyllysineChEBI
Epsilon-N-MethyllysineChEBI
MeLysChEBI
N(zeta)-MethyllysineChEBI
N-Epsilon-MethyllysineChEBI
N-Methyl-L-lysineChEBI
N6-Methyl-L-lysineChEBI
N(epsilon)-Methyl-L-lysineChEBI
(S)-2-Amino-6-methylaminohexanoateGenerator
N(Z)-MethyllysineGenerator
N(Ζ)-methyllysineGenerator
(2S)-2-amino-6-(methylamino)HexanoateHMDB
(2S)-2-amino-6-(methylamino)Hexanoic acidHMDB
N(6)-Methyl-L-lysineHMDB
N-Methyl-lysineHMDB
epsilon-N-Methyllysine hydrochloride, (L-lys)-isomerMeSH, HMDB
epsilon-N-Methyllysine, (DL-lys)-isomerMeSH, HMDB
N(epsilon)-Monomethyl-lysineMeSH, HMDB
N(6)-MethyllysineChEBI
Chemical FormulaC7H16N2O2
Average Molecular Weight160.2141
Monoisotopic Molecular Weight160.121177766
IUPAC Name(2S)-2-amino-6-(methylamino)hexanoic acid
Traditional NameN-methyl-L-lysine
CAS Registry Number1188-07-4
SMILES
CNCCCC[C@H](N)C(O)=O
InChI Identifier
InChI=1S/C7H16N2O2/c1-9-5-3-2-4-6(8)7(10)11/h6,9H,2-5,8H2,1H3,(H,10,11)/t6-/m0/s1
InChI KeyPQNASZJZHFPQLE-LURJTMIESA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentL-alpha-amino acids
Alternative Parents
Substituents
  • L-alpha-amino acid
  • Medium-chain fatty acid
  • Amino fatty acid
  • Fatty acid
  • Fatty acyl
  • Amino acid
  • Carboxylic acid
  • Secondary aliphatic amine
  • Monocarboxylic acid or derivatives
  • Secondary amine
  • Carbonyl group
  • Primary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Organic nitrogen compound
  • Primary aliphatic amine
  • Amine
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M-H]-Not Available134.207http://allccs.zhulab.cn/database/detail?ID=AllCCS00000048
[M+H]+Not Available132.489http://allccs.zhulab.cn/database/detail?ID=AllCCS00000048
Predicted Molecular Properties
PropertyValueSource
Water Solubility51.5 g/LALOGPS
logP-2.4ALOGPS
logP-2.9ChemAxon
logS-0.49ALOGPS
pKa (Strongest Acidic)2.8ChemAxon
pKa (Strongest Basic)10.58ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area75.35 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity42.58 m³·mol⁻¹ChemAxon
Polarizability18.04 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]+137.57631661259
DarkChem[M-H]-135.29931661259
DeepCCS[M+H]+133.9130932474
DeepCCS[M-H]-130.17730932474
DeepCCS[M-2H]-167.65130932474
DeepCCS[M+Na]+142.96130932474
AllCCS[M+H]+137.832859911
AllCCS[M+H-H2O]+133.932859911
AllCCS[M+NH4]+141.432859911
AllCCS[M+Na]+142.532859911
AllCCS[M-H]-135.832859911
AllCCS[M+Na-2H]-137.732859911
AllCCS[M+HCOO]-139.932859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
N(6)-MethyllysineCNCCCC[C@H](N)C(O)=O2265.5Standard polar33892256
N(6)-MethyllysineCNCCCC[C@H](N)C(O)=O1512.1Standard non polar33892256
N(6)-MethyllysineCNCCCC[C@H](N)C(O)=O1546.9Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
N(6)-Methyllysine,1TMS,isomer #1CNCCCC[C@H](N)C(=O)O[Si](C)(C)C1472.8Semi standard non polar33892256
N(6)-Methyllysine,1TMS,isomer #2CNCCCC[C@H](N[Si](C)(C)C)C(=O)O1600.8Semi standard non polar33892256
N(6)-Methyllysine,1TMS,isomer #3CN(CCCC[C@H](N)C(=O)O)[Si](C)(C)C1688.8Semi standard non polar33892256
N(6)-Methyllysine,2TMS,isomer #1CNCCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C1594.5Semi standard non polar33892256
N(6)-Methyllysine,2TMS,isomer #1CNCCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C1701.7Standard non polar33892256
N(6)-Methyllysine,2TMS,isomer #1CNCCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C1903.6Standard polar33892256
N(6)-Methyllysine,2TMS,isomer #2CN(CCCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C1673.7Semi standard non polar33892256
N(6)-Methyllysine,2TMS,isomer #2CN(CCCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C1716.2Standard non polar33892256
N(6)-Methyllysine,2TMS,isomer #2CN(CCCC[C@H](N)C(=O)O[Si](C)(C)C)[Si](C)(C)C2296.3Standard polar33892256
N(6)-Methyllysine,2TMS,isomer #3CN(CCCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C1772.7Semi standard non polar33892256
N(6)-Methyllysine,2TMS,isomer #3CN(CCCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C1712.4Standard non polar33892256
N(6)-Methyllysine,2TMS,isomer #3CN(CCCC[C@H](N[Si](C)(C)C)C(=O)O)[Si](C)(C)C2166.1Standard polar33892256
N(6)-Methyllysine,2TMS,isomer #4CNCCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C1734.7Semi standard non polar33892256
N(6)-Methyllysine,2TMS,isomer #4CNCCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C1722.2Standard non polar33892256
N(6)-Methyllysine,2TMS,isomer #4CNCCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C2081.1Standard polar33892256
N(6)-Methyllysine,3TMS,isomer #1CN(CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C1782.5Semi standard non polar33892256
N(6)-Methyllysine,3TMS,isomer #1CN(CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C1801.0Standard non polar33892256
N(6)-Methyllysine,3TMS,isomer #1CN(CCCC[C@H](N[Si](C)(C)C)C(=O)O[Si](C)(C)C)[Si](C)(C)C1871.6Standard polar33892256
N(6)-Methyllysine,3TMS,isomer #2CNCCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1769.0Semi standard non polar33892256
N(6)-Methyllysine,3TMS,isomer #2CNCCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1811.8Standard non polar33892256
N(6)-Methyllysine,3TMS,isomer #2CNCCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1808.2Standard polar33892256
N(6)-Methyllysine,3TMS,isomer #3CN(CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C1933.9Semi standard non polar33892256
N(6)-Methyllysine,3TMS,isomer #3CN(CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C1840.4Standard non polar33892256
N(6)-Methyllysine,3TMS,isomer #3CN(CCCC[C@@H](C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2010.2Standard polar33892256
N(6)-Methyllysine,4TMS,isomer #1CN(CCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C1989.8Semi standard non polar33892256
N(6)-Methyllysine,4TMS,isomer #1CN(CCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C1920.3Standard non polar33892256
N(6)-Methyllysine,4TMS,isomer #1CN(CCCC[C@@H](C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C1817.6Standard polar33892256
N(6)-Methyllysine,1TBDMS,isomer #1CNCCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C1717.9Semi standard non polar33892256
N(6)-Methyllysine,1TBDMS,isomer #2CNCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O1832.3Semi standard non polar33892256
N(6)-Methyllysine,1TBDMS,isomer #3CN(CCCC[C@H](N)C(=O)O)[Si](C)(C)C(C)(C)C1914.2Semi standard non polar33892256
N(6)-Methyllysine,2TBDMS,isomer #1CNCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2047.9Semi standard non polar33892256
N(6)-Methyllysine,2TBDMS,isomer #1CNCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2101.6Standard non polar33892256
N(6)-Methyllysine,2TBDMS,isomer #1CNCCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2102.2Standard polar33892256
N(6)-Methyllysine,2TBDMS,isomer #2CN(CCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2129.8Semi standard non polar33892256
N(6)-Methyllysine,2TBDMS,isomer #2CN(CCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2144.7Standard non polar33892256
N(6)-Methyllysine,2TBDMS,isomer #2CN(CCCC[C@H](N)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2394.4Standard polar33892256
N(6)-Methyllysine,2TBDMS,isomer #3CN(CCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C2246.3Semi standard non polar33892256
N(6)-Methyllysine,2TBDMS,isomer #3CN(CCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C2152.2Standard non polar33892256
N(6)-Methyllysine,2TBDMS,isomer #3CN(CCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C2300.7Standard polar33892256
N(6)-Methyllysine,2TBDMS,isomer #4CNCCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2188.1Semi standard non polar33892256
N(6)-Methyllysine,2TBDMS,isomer #4CNCCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2134.1Standard non polar33892256
N(6)-Methyllysine,2TBDMS,isomer #4CNCCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2201.8Standard polar33892256
N(6)-Methyllysine,3TBDMS,isomer #1CN(CCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2456.5Semi standard non polar33892256
N(6)-Methyllysine,3TBDMS,isomer #1CN(CCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2405.8Standard non polar33892256
N(6)-Methyllysine,3TBDMS,isomer #1CN(CCCC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2237.1Standard polar33892256
N(6)-Methyllysine,3TBDMS,isomer #2CNCCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2450.9Semi standard non polar33892256
N(6)-Methyllysine,3TBDMS,isomer #2CNCCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2390.6Standard non polar33892256
N(6)-Methyllysine,3TBDMS,isomer #2CNCCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2160.1Standard polar33892256
N(6)-Methyllysine,3TBDMS,isomer #3CN(CCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2578.0Semi standard non polar33892256
N(6)-Methyllysine,3TBDMS,isomer #3CN(CCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2446.9Standard non polar33892256
N(6)-Methyllysine,3TBDMS,isomer #3CN(CCCC[C@@H](C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2306.3Standard polar33892256
N(6)-Methyllysine,4TBDMS,isomer #1CN(CCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2841.3Semi standard non polar33892256
N(6)-Methyllysine,4TBDMS,isomer #1CN(CCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2669.5Standard non polar33892256
N(6)-Methyllysine,4TBDMS,isomer #1CN(CCCC[C@@H](C(=O)O[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2277.1Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - N(6)-Methyllysine GC-MS (Non-derivatized) - 70eV, Positivesplash10-006x-9200000000-ffd641fb87aeadd70b062017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N(6)-Methyllysine GC-MS (1 TMS) - 70eV, Positivesplash10-00di-9400000000-4cf1396c874f63f9def42017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - N(6)-Methyllysine 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 - N(6)-Methyllysine 30V, Positive-QTOFsplash10-001i-9000000000-720709019d470b5b26a92021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N(6)-Methyllysine 40V, Positive-QTOFsplash10-0a59-9000000000-2c5717b9db79491c54e72021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N(6)-Methyllysine 20V, Positive-QTOFsplash10-001i-9000000000-829bc985a42f10a8b03f2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N(6)-Methyllysine 10V, Positive-QTOFsplash10-001i-9600000000-4da6280bf8bb3a92eee42021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N(6)-Methyllysine 10V, Positive-QTOFsplash10-001i-9600000000-da13e67645fe6a97f1622021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N(6)-Methyllysine 30V, Positive-QTOFsplash10-001i-9000000000-bc7c06f67943fd6a6d532021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N(6)-Methyllysine 10V, Positive-QTOFsplash10-014i-9100000000-69c3801dd92e711a24542021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N(6)-Methyllysine 0V, Positive-QTOFsplash10-03di-0900000000-08b6e77529dea2292e232021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N(6)-Methyllysine 30V, Positive-QTOFsplash10-0a4i-9000000000-633b5054da131f3171032021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - N(6)-Methyllysine 0V, Positive-QTOFsplash10-03di-1900000000-156784647dbf4c823eb92021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N(6)-Methyllysine 10V, Positive-QTOFsplash10-02u0-2900000000-962be595f0e859b8d9852016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N(6)-Methyllysine 20V, Positive-QTOFsplash10-0159-9700000000-2144bace5bb9c5b6025a2016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N(6)-Methyllysine 40V, Positive-QTOFsplash10-05gl-9000000000-06030ce76181ed4a1d0c2016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N(6)-Methyllysine 10V, Negative-QTOFsplash10-0a4i-1900000000-589d432fd4c47a5744e62016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N(6)-Methyllysine 20V, Negative-QTOFsplash10-0a4i-3900000000-d7f6c3fd68783dbd7ddf2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N(6)-Methyllysine 40V, Negative-QTOFsplash10-00e9-9100000000-19d8207948713cbc50ea2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N(6)-Methyllysine 10V, Positive-QTOFsplash10-015a-9800000000-ca61b8d321495f2775832021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N(6)-Methyllysine 20V, Positive-QTOFsplash10-001i-9100000000-28e6fa8744c27ae8b6312021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N(6)-Methyllysine 40V, Positive-QTOFsplash10-05fu-9000000000-c41527c31d1720fd59a62021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N(6)-Methyllysine 10V, Negative-QTOFsplash10-0a4i-0900000000-36337815605e095a65052021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N(6)-Methyllysine 20V, Negative-QTOFsplash10-0a4i-0900000000-e9f680371b982c2c0bcf2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N(6)-Methyllysine 40V, Negative-QTOFsplash10-0006-9000000000-2377be5dcacaac56991f2021-09-22Wishart LabView Spectrum

IR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)2023-02-03FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)2023-02-03FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)2023-02-03FELIX labView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
  • Cerebrospinal Fluid (CSF)
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified7.0 +/- 6.0 uMAdult (>18 years old)BothNormal
    • Geigy Scientific ...
details
Cerebrospinal Fluid (CSF)Detected and Quantified1.2 +/- 1.1 uMAdult (>18 years old)BothNormal details
UrineDetected and Quantified0.90 (0.22-1.58) umol/mmol creatinineAdult (>18 years old)BothNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB01714
Phenol Explorer Compound IDNot Available
FooDB IDFDB022812
KNApSAcK IDNot Available
Chemspider ID144469
KEGG Compound IDC02728
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound164795
PDB IDNot Available
ChEBI ID17604
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceBenoiton, Leo. Amino acids and peptides. II. Synthesis of e-N-methyl-L-lysine and related compounds. Canadian Journal of Chemistry (1964), 42(9), 2043-7.
Material Safety Data Sheet (MSDS)Not Available
General References
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