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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-06 21:02:23 UTC
Update Date2021-09-14 15:29:57 UTC
HMDB IDHMDB0028762
Secondary Accession Numbers
  • HMDB28762
Metabolite Identification
Common NameAspartyl-Serine
DescriptionAspartyl-Serine is a dipeptide composed of aspartate and serine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an 'Expected' metabolite.
Structure
Thumb
Synonyms
ValueSource
Asp-serHMDB
Aspartate serine dipeptideHMDB
Aspartate-serine dipeptideHMDB
AspartylserineHMDB
D-S DipeptideHMDB
DS DipeptideHMDB
L-Aspartyl-L-serineHMDB
3-Amino-3-[(1-carboxy-2-hydroxyethyl)-C-hydroxycarbonimidoyl]propanoateHMDB
Chemical FormulaC7H12N2O6
Average Molecular Weight220.18
Monoisotopic Molecular Weight220.069536126
IUPAC Name3-amino-3-[(1-carboxy-2-hydroxyethyl)carbamoyl]propanoic acid
Traditional Name3-amino-3-[(1-carboxy-2-hydroxyethyl)carbamoyl]propanoic acid
CAS Registry NumberNot Available
SMILES
NC(CC(O)=O)C(=O)NC(CO)C(O)=O
InChI Identifier
InChI=1S/C7H12N2O6/c8-3(1-5(11)12)6(13)9-4(2-10)7(14)15/h3-4,10H,1-2,8H2,(H,9,13)(H,11,12)(H,14,15)
InChI KeyDWBZEJHQQIURML-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentDipeptides
Alternative Parents
Substituents
  • Alpha-dipeptide
  • Aspartic acid or derivatives
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid amide
  • Serine or derivatives
  • Alpha-amino acid or derivatives
  • Beta-hydroxy acid
  • Dicarboxylic acid or derivatives
  • Fatty amide
  • Hydroxy acid
  • Fatty acyl
  • Fatty acid
  • N-acyl-amine
  • Amino acid or derivatives
  • Carboxamide group
  • Amino acid
  • Secondary carboxylic acid amide
  • Carboxylic acid
  • Organic oxygen compound
  • Primary aliphatic amine
  • Hydrocarbon derivative
  • Organic nitrogen compound
  • Organic oxide
  • Carbonyl group
  • Organopnictogen compound
  • Alcohol
  • Amine
  • Primary amine
  • Primary alcohol
  • Organonitrogen compound
  • Organooxygen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogP-5.15Extrapolated
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 IDFDB111815
KNApSAcK IDNot Available
Chemspider ID10709972
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound13932398
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. van der Leij FR, Welling GW: Determination of beta-aspartylpeptidase activity in human faeces by high-performance liquid chromatography using pre-column derivatization with phenyl isothiocyanate. J Chromatogr. 1986 Nov 28;383(1):35-42. [PubMed:3818845 ]
  2. Buenafe AC, Vainiene M, Celnik B, Vandenbark AA, Offner H: Analysis of V beta 8-CDR3 sequences derived from central nervous system of Lewis rats with experimental autoimmune encephalomyelitis. J Immunol. 1994 Jul 1;153(1):386-94. [PubMed:8207250 ]
  3. Gold DP, Offner H, Sun D, Wiley S, Vandenbark AA, Wilson DB: Analysis of T cell receptor beta chains in Lewis rats with experimental allergic encephalomyelitis: conserved complementarity determining region 3. J Exp Med. 1991 Dec 1;174(6):1467-76. [PubMed:1836012 ]
  4. Wilson DB, Schroder K, Mueller D, Golding AB, Wilson DH, Gold DP: Analysis of TCR beta chains in Lewis rats with experimental allergic encephalomyelitis. II. Vbeta8.2+ T cells with limited CDR3 N region additions derive from the adult thymus. Eur J Immunol. 1998 Apr;28(4):1216-24. [PubMed:9565361 ]
  5. Gold DP, Vainiene M, Celnik B, Wiley S, Gibbs C, Hashim GA, Vandenbark AA, Offner H: Characterization of the immune response to a secondary encephalitogenic epitope of basic protein in Lewis rats. II. Biased T cell receptor V beta expression predominates in spinal cord infiltrating T cells. J Immunol. 1992 Mar 15;148(6):1712-7. [PubMed:1371786 ]
  6. Visser MR, Vercellotti GM, McCarthy JB, Goodman JL, Herbst TJ, Furcht LT, Jacob HS: Herpes simplex virus inhibits endothelial cell attachment and migration to extracellular matrix proteins. Am J Pathol. 1989 Jan;134(1):223-30. [PubMed:2536523 ]
  7. Gold DP, Schroder K, Mueller DB, Wilson DB: Analysis of T cell receptor beta chains in the rat: I. Allelic polymorphism of V beta 8.2 is not a predisposing genetic factor in susceptibility to experimental allergic encephalomyelitis. J Neurosci Res. 1996 Sep 15;45(6):700-5. [PubMed:8892081 ]