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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 07:22:44 UTC
Update Date2021-09-26 23:01:49 UTC
HMDB IDHMDB0250375
Secondary Accession NumbersNone
Metabolite Identification
Common NameN(epsilon)-(Carboxymethyl)hydroxylysine
DescriptionN(epsilon)-(Carboxymethyl)hydroxylysine belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). Based on a literature review a significant number of articles have been published on N(epsilon)-(Carboxymethyl)hydroxylysine. This compound has been identified in human blood as reported by (PMID: 31557052 ). N(epsilon)-(carboxymethyl)hydroxylysine is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically N(epsilon)-(Carboxymethyl)hydroxylysine is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.
Structure
Thumb
Synonyms
ValueSource
2-Amino-6-[(carboxymethyl)amino]-5-hydroxyhexanoateHMDB
Chemical FormulaC8H16N2O5
Average Molecular Weight220.225
Monoisotopic Molecular Weight220.105921623
IUPAC Name2-amino-6-[(carboxymethyl)amino]-5-hydroxyhexanoic acid
Traditional Name2-amino-6-[(carboxymethyl)amino]-5-hydroxyhexanoic acid
CAS Registry NumberNot Available
SMILES
NC(CCC(O)CNCC(O)=O)C(O)=O
InChI Identifier
InChI=1S/C8H16N2O5/c9-6(8(14)15)2-1-5(11)3-10-4-7(12)13/h5-6,10-11H,1-4,9H2,(H,12,13)(H,14,15)
InChI KeyYKQYHBPXDAVALT-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentAlpha amino acids
Alternative Parents
Substituents
  • Alpha-amino acid
  • Medium-chain fatty acid
  • Amino fatty acid
  • Hydroxy fatty acid
  • Fatty acyl
  • Fatty acid
  • Dicarboxylic acid or derivatives
  • 1,2-aminoalcohol
  • Amino acid
  • Secondary alcohol
  • Carboxylic acid
  • Secondary amine
  • Secondary aliphatic amine
  • Organic nitrogen compound
  • Primary aliphatic amine
  • Organonitrogen compound
  • Organooxygen compound
  • Primary amine
  • Hydrocarbon derivative
  • Carbonyl group
  • Organic oxide
  • Amine
  • Organic oxygen compound
  • Alcohol
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
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
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal details
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 ID26502627
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound53461970
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. Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]