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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-06 21:02:25 UTC
Update Date2021-09-14 15:19:58 UTC
HMDB IDHMDB0028771
Secondary Accession Numbers
  • HMDB28771
Metabolite Identification
Common NameCysteinyl-Aspartate
DescriptionCysteinyl-Aspartate is a dipeptide composed of cysteine and aspartate. 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
Cysteinyl-aspartic acidGenerator
C-D DipeptideHMDB
CD DipeptideHMDB
Cys-aspHMDB
Cysteine aspartate dipeptideHMDB
Cysteine-aspartate dipeptideHMDB
CysteinylaspartateHMDB
L-Cysteinyl-L-aspartateHMDB
2-[(2-Amino-1-hydroxy-3-sulfanylpropylidene)amino]butanedioateHMDB
2-[(2-Amino-1-hydroxy-3-sulphanylpropylidene)amino]butanedioateHMDB
2-[(2-Amino-1-hydroxy-3-sulphanylpropylidene)amino]butanedioic acidHMDB
Chemical FormulaC7H12N2O5S
Average Molecular Weight236.246
Monoisotopic Molecular Weight236.046692194
IUPAC Name2-(2-amino-3-sulfanylpropanamido)butanedioic acid
Traditional Name2-(2-amino-3-sulfanylpropanamido)butanedioic acid
CAS Registry NumberNot Available
SMILES
NC(CS)C(=O)NC(CC(O)=O)C(O)=O
InChI Identifier
InChI=1S/C7H12N2O5S/c8-3(2-15)6(12)9-4(7(13)14)1-5(10)11/h3-4,15H,1-2,8H2,(H,9,12)(H,10,11)(H,13,14)
InChI KeyTULNGKSILXCZQT-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
  • Cysteine or derivatives
  • Alpha-amino acid or derivatives
  • Dicarboxylic acid or derivatives
  • Fatty acid
  • Amino acid or derivatives
  • Carboxamide group
  • Amino acid
  • Secondary carboxylic acid amide
  • Carboxylic acid
  • Alkylthiol
  • Organooxygen compound
  • Organonitrogen compound
  • Organic nitrogen compound
  • Organic oxide
  • Primary aliphatic amine
  • Organopnictogen compound
  • Carbonyl group
  • Amine
  • Organosulfur compound
  • Primary amine
  • Organic oxygen compound
  • Hydrocarbon derivative
  • 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-4.25Extrapolated
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 IDFDB111822
KNApSAcK IDNot Available
Chemspider ID16568280
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound18218193
PDB IDNot Available
ChEBI ID174210
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 ReferencesNot Available