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3-Methyl-L-histidine (PC001164)

Record Information
Version1.0
Creation date2018-05-02 11:52:22 UTC
Update date2018-05-04 14:26:20 UTC
FoodComEx IDPC001164
FoodDB RecordFDB021798
Chemical Information
Name3-Methyl-L-histidine
Description3-Methylhistidine is a product of peptide bond synthesis and methylation of actin and myosin. The measurement of 3-Methylhistidine provides an index of the rate of muscle protein breakdown. [HMDB]. 3-Methylhistidine is a biomarker for meat consumption, especially chicken. It is also a biomarker for the consumption of soy products.
CAS Number368-16-1
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
SynonymSource
(2S)-2-amino-3-(1-Methyl-1H-imidazol-5-yl)propanoateGenerator
(2S)-2-amino-3-(1-Methyl-1H-imidazol-5-yl)propanoic acidChEBI
3-MethylhistidineChEBI
3-N-Methyl-L-histidineHMDB
L-3-MethylhistidineHMDB
N-pros-Methyl-L-histidineChEBI
N(Pai)-methyl-L-histidineChEBI
N(pros)-Methyl-L-histidineHMDB
N3-Methyl-L-histidineHMDB
Pi-methyl-L-histidineHMDB
Tau-methyl-L-histidineHMDB
Tau-methylhistidineHMDB
Chemical FormulaC7H11N3O2
IUPAC name2-amino-3-(1-methyl-1H-imidazol-5-yl)propanoic acid
InChI IdentifierInChI=1S/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)
InChI KeyJDHILDINMRGULE-UHFFFAOYSA-N
Isomeric SMILESCN1C=NC=C1CC(N)C(O)=O
Average Molecular Weight169.1811
Monoisotopic Molecular Weight169.085126611
Chemical Taxonomy
Description Belongs to the class of organic compounds known as histidine and derivatives. Histidine and derivatives are compounds containing cysteine or a derivative thereof resulting from reaction of cysteine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentHistidine and derivatives
Alternative Parents
Substituents
  • Histidine or derivatives
  • Alpha-amino acid
  • Imidazolyl carboxylic acid derivative
  • Aralkylamine
  • N-substituted imidazole
  • Azole
  • Imidazole
  • Heteroaromatic compound
  • Amino acid
  • Carboxylic acid
  • Azacycle
  • Organoheterocyclic compound
  • Monocarboxylic acid or derivatives
  • Organic nitrogen compound
  • Organonitrogen compound
  • Organooxygen compound
  • Primary amine
  • Primary aliphatic amine
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Carbonyl group
  • Organic oxygen compound
  • Amine
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointNot Available
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity Available1 to 2 mg
Delivery Time2 weeks
Storage Formpowder
Storage Conditions4°C
StabilityNot Available
Purityunknown
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Augustin ScalbertInternational Agency for Research on Cancer (IARC), Biomarkers Group, 150 cours Albert Thomas, Lyon, FR, 69372scalberta@iarc.fr
Commercial Vendors
MetaSci HMDB0000479
Sigma-Aldrich HMDB0000479
Toronto Research Chemicals M312005