| Common Name |
Hydroxyprolyl-Cysteine
| Description |
Hydroxyprolyl-Cysteine is a dipeptide composed of hydroxyproline 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 |
MOLSDFPDBSMILESInChI
Structure for HMDB28860 (Hydroxyprolyl-Cysteine)
| Synonyms |
| Value |
Source |
Hydroxyproline cysteine dipeptideHMDB
HP-C DipeptideHMDB
HPC DipeptideHMDB
hpro-CysHMDB
Hydroxyproline-cysteine dipeptideHMDB
HydroxyprolylcysteineHMDB
L-Hydroxyprolyl-L-cysteineHMDB
| Chemical Formlia |
C8H14N2O4S
| Average Molecliar Weight |
234.273
| Monoisotopic Molecliar Weight |
234.067427636
| IUPAC Name |
2-[(4-hydroxypyrrolidin-2-yl)formamido]-3-slifanylpropanoic acid
| Traditional Name |
2-[(4-hydroxypyrrolidin-2-yl)formamido]-3-slifanylpropanoic acid
| CAS Registry Number |
Not Available
| SMILES |
OC1CNC(C1)C(=O)NC(CS)C(O)=O
| InChI Identifier |
InChI=1S/C8H14N2O4S/c11-4-1-5(9-2-4)7(12)10-6(3-15)8(13)14/h4-6,9,11,15H,1-3H2,(H,10,12)(H,13,14)
| InChI Key |
DTCRAYVKSFZQIQ-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 |
Proline and derivatives
N-acyl-alpha amino acids
Alpha amino acid amides
Cysteine and derivatives
Pyrrolidinecarboxamides
Secondary carboxylic acid amides
Secondary alcohols
1,2-aminoalcohols
Amino acids
Alkylthiols
Monocarboxylic acids and derivatives
Dialkylamines
Carboxylic acids
Azacyclic compounds
Carbonyl compounds
Hydrocarbon derivatives
Organic oxides
Organopnictogen compounds
| Substituents |
Alpha-dipeptide
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Proline or derivatives
Alpha-amino acid amide
Cysteine or derivatives
Alpha-amino acid or derivatives
Pyrrolidine carboxylic acid or derivatives
Pyrrolidine-2-carboxamide
Pyrrolidine
1,2-aminoalcohol
Carboxamide group
Amino acid
Amino acid or derivatives
Secondary alcohol
Secondary carboxylic acid amide
Alkylthiol
Secondary aliphatic amine
Azacycle
Carboxylic acid
Secondary amine
Monocarboxylic acid or derivatives
Organoheterocyclic compound
Organic nitrogen compound
Organonitrogen compound
Organooxygen compound
Organoslifur compound
Carbonyl group
Hydrocarbon derivative
Amine
Organic oxide
Organopnictogen compound
Organic oxygen compound
Alcohol
Aliphatic heteromonocyclic compound
| Molecliar Framework |
Aliphatic 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-4.21Extrapolated
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility1.84 mg/mLALOGPS
logP-1.7ALOGPS
logP-4.2ChemAxon
logS-2.1ALOGPS
pKa (Strongest Acidic)3.48ChemAxon
pKa (Strongest Basic)9.07ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area98.66 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity54.41 m3·mol-1ChemAxon
Polarizability22.74 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 |
HMDB28860
| Metagene Link |
HMDB28860
| METLIN ID |
Not Available
| PubChem Compound |
Not Available
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: Chlorotoxin
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
Not Available |
PMID: 2545459