Showing metabocard for Hydroxyprolyl-Cysteine (BMDB0063899)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2020-03-03 19:29:02 UTC
Update Date2020-04-22 15:55:49 UTC
BMDB IDBMDB0063899
Secondary Accession Numbers
  • BMDB63899
Metabolite Identification
Common NameHydroxyprolyl-Cysteine
DescriptionHydroxyprolyl-Cysteine, also known as HP-C dipeptide or hpro-cys, 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 very few articles have been published on Hydroxyprolyl-Cysteine.
Structure
Thumb
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
Synonyms
ValueSource
Hydroxyproline cysteine dipeptideHMDB
HP-C DipeptideHMDB
HPC DipeptideHMDB
Hpro-cysHMDB
Hydroxyproline-cysteine dipeptideHMDB
HydroxyprolylcysteineHMDB
L-Hydroxyprolyl-L-cysteineHMDB
2-{[hydroxy(4-hydroxypyrrolidin-2-yl)methylidene]amino}-3-sulfanylpropanoateHMDB
2-{[hydroxy(4-hydroxypyrrolidin-2-yl)methylidene]amino}-3-sulphanylpropanoateHMDB
2-{[hydroxy(4-hydroxypyrrolidin-2-yl)methylidene]amino}-3-sulphanylpropanoic acidHMDB
Chemical FormulaC8H14N2O4S
Average Molecular Weight234.273
Monoisotopic Molecular Weight234.067427636
IUPAC Name2-[(4-hydroxypyrrolidin-2-yl)formamido]-3-sulfanylpropanoic acid
Traditional Name2-[(4-hydroxypyrrolidin-2-yl)formamido]-3-sulfanylpropanoic acid
CAS Registry NumberNot 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 KeyDTCRAYVKSFZQIQ-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
  • 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
  • Organosulfur compound
  • Carbonyl group
  • Hydrocarbon derivative
  • Amine
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
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-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 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity54.41 m³·mol⁻¹ChemAxon
Polarizability22.9 ųChemAxon
Number of Rings1ChemAxon
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 IDHMDB0028860
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB111891
KNApSAcK IDNot Available
Chemspider ID35032800
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound131750765
PDB IDNot Available
ChEBI ID173683
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available