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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 23:06:02 UTC
Update Date2022-03-07 02:55:32 UTC
HMDB IDHMDB0037842
Secondary Accession Numbers
  • HMDB37842
Metabolite Identification
Common NameN-(1-Deoxy-1-fructosyl)serine
DescriptionN-(1-Deoxy-1-fructosyl)serine belongs to the class of organic compounds known as serine and derivatives. Serine and derivatives are compounds containing serine or a derivative thereof resulting from reaction of serine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Based on a literature review very few articles have been published on N-(1-Deoxy-1-fructosyl)serine.
Structure
Thumb
Synonyms
ValueSource
1-[(1-Carboxy-2-hydroxyethyl)amino]-1-deoxyfructose, 9ciHMDB
(2S)-3-Hydroxy-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)propanoateGenerator
Chemical FormulaC9H17NO8
Average Molecular Weight267.2332
Monoisotopic Molecular Weight267.095416525
IUPAC Name(2S)-3-hydroxy-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)propanoic acid
Traditional Name(2S)-3-hydroxy-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)propanoic acid
CAS Registry Number87251-79-4
SMILES
OC[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(O)=O
InChI Identifier
InChI=1S/C9H17NO8/c11-1-4(8(15)16)10-3-9(17)7(14)6(13)5(2-12)18-9/h4-7,10-14,17H,1-3H2,(H,15,16)/t4-,5+,6+,7-,9?/m0/s1
InChI KeyKUVQLWYPNUQGDT-MBGOVIFWSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as serine and derivatives. Serine and derivatives are compounds containing serine or a derivative thereof resulting from reaction of serine 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 ParentSerine and derivatives
Alternative Parents
Substituents
  • Serine or derivatives
  • C-glycosyl compound
  • Glycosyl compound
  • Alpha-amino acid
  • Pentose monosaccharide
  • L-alpha-amino acid
  • Beta-hydroxy acid
  • Hydroxy acid
  • Monosaccharide
  • Tetrahydrofuran
  • Amino acid
  • Hemiacetal
  • Secondary alcohol
  • Organoheterocyclic compound
  • Polyol
  • Secondary amine
  • Carboxylic acid
  • Secondary aliphatic amine
  • Oxacycle
  • Monocarboxylic acid or derivatives
  • Primary alcohol
  • Alcohol
  • Organopnictogen compound
  • Organic oxygen compound
  • Organonitrogen compound
  • Organooxygen compound
  • Carbonyl group
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Amine
  • Organic oxide
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point110 °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 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 IDFDB016993
KNApSAcK IDNot Available
Chemspider ID35014479
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound131752245
PDB IDNot Available
ChEBI ID143248
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.. .