Showing metabocard for Arginylaspartic acid (BMDB0063769)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2020-03-03 19:21:32 UTC
Update Date2020-04-22 15:55:00 UTC
BMDB IDBMDB0063769
Secondary Accession Numbers
  • BMDB63769
Metabolite Identification
Common NameArginylaspartic acid
DescriptionArginylaspartic acid, also known as arginylaspartate or RD, 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. Based on a literature review a small amount of articles have been published on Arginylaspartic acid.
Structure
Thumb
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
Synonyms
ValueSource
L-Arg-L-aspChEBI
RDChEBI
ArginylaspartateGenerator
Arg-aspHMDB
Arginine aspartate dipeptideHMDB
Arginine aspartic acid dipeptideHMDB
Arginine-aspartate dipeptideHMDB
Arginine-aspartic acid dipeptideHMDB
Arginyl-aspartateHMDB
Arginyl-aspartic acidHMDB
L-Arginyl-L-aspartateHMDB
L-Arginyl-L-aspartic acidHMDB
N-ArginylaspartateHMDB
N-Arginylaspartic acidHMDB
N-L-Arginyl-L-aspartateHMDB
N-L-Arginyl-L-aspartic acidHMDB
R-D DipeptideHMDB
RD DipeptideHMDB
Arginylaspartic acidChEBI
Chemical FormulaC10H19N5O5
Average Molecular Weight289.292
Monoisotopic Molecular Weight289.138618732
IUPAC Name(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]butanedioic acid
Traditional Name(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]butanedioic acid
CAS Registry NumberNot Available
SMILES
N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(O)=O
InChI Identifier
InChI=1S/C10H19N5O5/c11-5(2-1-3-14-10(12)13)8(18)15-6(9(19)20)4-7(16)17/h5-6H,1-4,11H2,(H,15,18)(H,16,17)(H,19,20)(H4,12,13,14)/t5-,6-/m0/s1
InChI KeySIFXMYAHXJGAFC-WDSKDSINSA-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
  • N-acyl-l-alpha-amino acid
  • Alpha-amino acid amide
  • Alpha-amino acid or derivatives
  • Dicarboxylic acid or derivatives
  • Fatty amide
  • N-acyl-amine
  • Fatty acid
  • Fatty acyl
  • Amino acid
  • Secondary carboxylic acid amide
  • Amino acid or derivatives
  • Carboxamide group
  • Carboxylic acid salt
  • Guanidine
  • Organic 1,3-dipolar compound
  • Propargyl-type 1,3-dipolar organic compound
  • Carboximidamide
  • Carboxylic acid
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Primary aliphatic amine
  • Organopnictogen compound
  • Organic nitrogen compound
  • Organic oxide
  • Organonitrogen compound
  • Organooxygen compound
  • Carbonyl group
  • Organic salt
  • Amine
  • Primary amine
  • Organic zwitterion
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
StatusExpected but not Quantified
Origin
  • Endogenous
BiofunctionNot Available
ApplicationNot Available
Cellular locationsNot Available
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-3.7ALOGPS
logP-6.5ChemAxon
logS-2.7ALOGPS
pKa (Strongest Acidic)3.3ChemAxon
pKa (Strongest Basic)12.04ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count9ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area191.62 ŲChemAxon
Rotatable Bond Count9ChemAxon
Refractivity77.26 m³·mol⁻¹ChemAxon
Polarizability28.16 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
HMDB IDHMDB0028705
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB111762
KNApSAcK IDNot Available
Chemspider ID5373191
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound7009611
PDB IDNot Available
ChEBI ID73812
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available