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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2012-09-11 18:41:03 UTC
Update Date2022-03-07 02:53:54 UTC
HMDB IDHMDB0033909
Secondary Accession Numbers
  • HMDB33909
Metabolite Identification
Common Name2'-Deoxymugineic acid
Description2'-Deoxymugineic acid, also known as 2'-deoxymugineate, belongs to the class of organic compounds known as gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom. 2'-Deoxymugineic acid has been detected, but not quantified in, several different foods, such as cashew nuts (Anacardium occidentale), dills (Anethum graveolens), common wheats (Triticum aestivum), sweet bays (Laurus nobilis), and common cabbages (Brassica oleracea). This could make 2'-deoxymugineic acid a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 2'-Deoxymugineic acid.
Structure
Thumb
Synonyms
ValueSource
2'-DeoxymugineateGenerator
2'-DmaHMDB, MeSH
1-{3-carboxy-3-[(3-carboxy-3-hydroxypropyl)amino]propyl}azetidine-2-carboxylateGenerator
(13c4)-2'-Deoxymugineic acidMeSH
2'-Deoxymugineic acidMeSH
Chemical FormulaC12H20N2O7
Average Molecular Weight304.2964
Monoisotopic Molecular Weight304.127051004
IUPAC Name1-{3-carboxy-3-[(3-carboxy-3-hydroxypropyl)amino]propyl}azetidine-2-carboxylic acid
Traditional Name1-{3-carboxy-3-[(3-carboxy-3-hydroxypropyl)amino]propyl}azetidine-2-carboxylic acid
CAS Registry NumberNot Available
SMILES
OC(CCNC(CCN1CCC1C(O)=O)C(O)=O)C(O)=O
InChI Identifier
InChI=1S/C12H20N2O7/c15-9(12(20)21)1-4-13-7(10(16)17)2-5-14-6-3-8(14)11(18)19/h7-9,13,15H,1-6H2,(H,16,17)(H,18,19)(H,20,21)
InChI KeyCUZKLRTTYZOCSD-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon atom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentGamma amino acids and derivatives
Alternative Parents
Substituents
  • Gamma amino acid or derivatives
  • Alpha-amino acid
  • Alpha-amino acid or derivatives
  • Tricarboxylic acid or derivatives
  • Amino fatty acid
  • Azetidinecarboxylic acid
  • Hydroxy fatty acid
  • Alpha-hydroxy acid
  • Hydroxy acid
  • Monosaccharide
  • Fatty acyl
  • 1,3-aminoalcohol
  • Tertiary amine
  • Tertiary aliphatic amine
  • Secondary alcohol
  • Azetidine
  • Amino acid
  • Organoheterocyclic compound
  • Azacycle
  • Secondary amine
  • Carboxylic acid
  • Secondary aliphatic amine
  • Carbonyl group
  • Organonitrogen compound
  • Organic oxide
  • Organopnictogen compound
  • Amine
  • Organooxygen compound
  • Organic nitrogen compound
  • Organic oxygen compound
  • Alcohol
  • Hydrocarbon derivative
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationRoute of exposureSource
ProcessNot Available
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point198.5 - 200.5 °CNot 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 Locations
  • Cytoplasm
  • Extracellular
Biospecimen Locations
  • Feces
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB012105
KNApSAcK IDNot Available
Chemspider ID3831286
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound4641377
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. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .