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Histidinyl-Cysteine

July 21, 2017
Common Name

Histidinyl-Cysteine Description

Histidinyl-Cysteine is a dipeptide composed of histidine and cysteine. 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

MOLSDF3D-SDFPDBSMILESInChI View 3D Structure

Structure for HMDB28882 (Histidinyl-Cysteine)

Synonyms

Value Source H-C DipeptideHMDB HC DipeptideHMDB His-cysHMDB Histidine cysteine dipeptideHMDB Histidine-cysteine dipeptideHMDB HistidinylcysteineHMDB L-Histidinyl-L-cysteineHMDB

Chemical Formlia

C9H14N4O3S Average Molecliar Weight

258.297 Monoisotopic Molecliar Weight

258.078661024 IUPAC Name

2-[2-amino-3-(1H-imidazol-5-yl)propanamido]-3-slifanylpropanoic acid Traditional Name

2-[2-amino-3-(3H-imidazol-4-yl)propanamido]-3-slifanylpropanoic acid CAS Registry Number

Not Available SMILES

NC(CC1=CN=CN1)C(=O)NC(CS)C(O)=O

InChI Identifier

InChI=1S/C9H14N4O3S/c10-6(1-5-2-11-4-12-5)8(14)13-7(3-17)9(15)16/h2,4,6-7,17H,1,3,10H2,(H,11,12)(H,13,14)(H,15,16)

InChI Key

MAJYPBAJPNUFPV-UHFFFAOYSA-N Chemical Taxonomy Description

This compound belongs to the class of chemical entities known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Kingdom

Chemical entities Super Class

Organic compounds Class

Organic acids and derivatives Sub Class

Carboxylic acids and derivatives Direct Parent

Dipeptides Alternative Parents

  • Histidine and derivatives
  • N-acyl-alpha amino acids
  • Alpha amino acid amides
  • Cysteine and derivatives
  • Imidazolyl carboxylic acids and derivatives
  • Aralkylamines
  • Fatty amides
  • Heteroaromatic compounds
  • Secondary carboxylic acid amides
  • Amino acids
  • Alkylthiols
  • Monocarboxylic acids and derivatives
  • Azacyclic compounds
  • Carboxylic acids
  • Organic oxides
  • Carbonyl compounds
  • Organopnictogen compounds
  • Monoalkylamines
  • Hydrocarbon derivatives

    • Substituents

  • Alpha-dipeptide
  • Histidine 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
  • Imidazolyl carboxylic acid derivative
  • Aralkylamine
  • Fatty amide
  • Fatty acyl
  • Azole
  • Imidazole
  • Heteroaromatic compound
  • Secondary carboxylic acid amide
  • Carboxamide group
  • Amino acid
  • Amino acid or derivatives
  • Monocarboxylic acid or derivatives
  • Organoheterocyclic compound
  • Carboxylic acid
  • Alkylthiol
  • Azacycle
  • Organic nitrogen compound
  • Primary aliphatic amine
  • Organonitrogen compound
  • Organooxygen compound
  • Organoslifur compound
  • Primary amine
  • Carbonyl group
  • Hydrocarbon derivative
  • Organic oxide
  • Amine
  • Organopnictogen compound
  • Organic oxygen compound
  • Aromatic heteromonocyclic compound

    • Molecliar Framework

    Aromatic heteromonocyclic compounds External Descriptors

    Not Available Ontology Status

    Expected but not Quantified Origin

  • Endogenous

    • Biofunction

    Not Available Application

    Not Available Cellliar locations

    Not Available Physical Properties State

    Solid Experimental Properties

    Property Value Reference Melting PointNot AvailableNot Available Boiling PointNot AvailableNot Available Water SolubilityNot AvailableNot Available LogP-3.94Extrapolated

    Predicted Properties

    Property Value Source Water Solubility0.56 mg/mLALOGPS logP-2.4ALOGPS logP-3.9ChemAxon logS-2.7ALOGPS pKa (Strongest Acidic)3.35ChemAxon pKa (Strongest Basic)8.02ChemAxon Physiological Charge0ChemAxon Hydrogen Acceptor Count5ChemAxon Hydrogen Donor Count5ChemAxon Polar Surface Area121.1 Å2ChemAxon Rotatable Bond Count6ChemAxon Refractivity63.08 m3·mol-1ChemAxon Polarizability25.33 Å3ChemAxon Number of Rings1ChemAxon Bioavailability1ChemAxon Rlie of FiveYesChemAxon Ghose FilterYesChemAxon Vebers RlieYesChemAxon MDDR-like RlieYesChemAxon

    Spectra Spectra

    Not Available Biological Properties Cellliar Locations

    Not Available Biofluid Locations

    Not Available Tissue Location

    Not Available Pathways

    Not Available Normal Concentrations Not Available Abnormal Concentrations

    Not Available Associated Disorders and Diseases Disease References

    None Associated OMIM IDs

    None External Links DrugBank ID

    Not Available DrugBank Metabolite ID

    Not Available Phenol Explorer Compound ID

    Not Available Phenol Explorer Metabolite ID

    Not Available FoodDB ID

    Not Available KNApSAcK ID

    Not Available Chemspider ID

    Not Available KEGG Compound ID

    Not Available BioCyc ID

    Not Available BiGG ID

    Not Available Wikipedia Link

    Not Available NuGOwiki Link

    HMDB28882 Metagene Link

    HMDB28882 METLIN ID

    Not Available PubChem Compound

    Not Available PDB ID

    Not Available ChEBI ID

    Not Available

    Product: Batefenterol

    References Synthesis Reference Not Available Material Safety Data Sheet (MSDS) Not Available General References
    1. He H, Dong Q, Shao Y, Jiang H, Zhu S, Cheng B, Xiang Y: Genome-wide survey and characterization of the WRKY gene family in Populus trichocarpa. Plant Cell Rep. 2012 Jul;31(7):1199-217. doi: 10.1007/s00299-012-1241-0. Epub 2012 Feb 28. [PubMed:22371255 ]
    2. Rich AM, Bombarda E, Schenk AD, Lee PE, Cox EH, Spuches AM, Hudson LD, Kieffer B, Wilcox DE: Thermodynamics of Zn2+ binding to Cys2His2 and Cys2HisCys zinc fingers and a Cys4 transcription factor site. J Am Chem Soc. 2012 Jun 27;134(25):10405-18. doi: 10.1021/ja211417g. Epub 2012 Jun 14. [PubMed:22591173 ]
    3. Pascual J, Martinez-Yamout M, Dyson HJ, Wright PE: Structure of the PHD zinc finger from human Williams-Beuren syndrome transcription factor. J Mol Biol. 2000 Dec 15;304(5):723-9. [PubMed:11124022 ]
    4. Lee WZ, Tolman WB: Toward synthetic analogues of linked redox and catalytic multimetal sites in proteins: a model of the histidine-cysteine bridged dicopper array. Inorg Chem. 2002 Nov 4;41(22):5656-8. [PubMed:12401068 ]
    5. Jenkins LM, Durell SR, Maynard AT, Stahl SJ, Inman JK, Appella E, Legault P, Omichinski JG: Comparison of the specificity of interaction of cellular and viral zinc-binding domains with 2-mercaptobenzamide thioesters. J Am Chem Soc. 2006 Sep 13;128(36):11964-76. [PubMed:16953638 ]
    6. Kong HJ, Moon JH, Han YH, Nam BH, Kim YO, Kim WJ, Kim DG, Kim HS, Kim JH, Kim BS, Lee SJ: PoCRIP1, Paralichthys olivaceus cysteine-rich intestinal protein 1: molecular characterization, expression analysis upon Edwardsiella tarda challenge and a possible role in the immune regulation. Fish Shellfish Immunol. 2011 Mar;30(3):917-22. doi: 10.1016/j.fsi.2011.01.017. Epub 2011 Feb 1. [PubMed:21288490 ]

    PMID: 3172131

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