Showing metabocard for Hydroxyprolyl-Methionine (BMDB0063907)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2020-03-03 19:29:29 UTC
Update Date2020-04-22 15:55:52 UTC
BMDB IDBMDB0063907
Secondary Accession Numbers
  • BMDB63907
Metabolite Identification
Common NameHydroxyprolyl-Methionine
DescriptionHydroxyprolyl-Methionine, also known as HP-m dipeptide or hpro-met, belongs to the class of organic compounds known as peptides. Peptides are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another. Based on a literature review very few articles have been published on Hydroxyprolyl-Methionine.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
Hydroxyproline methionine dipeptideHMDB
HP-m DipeptideHMDB
HPM DipeptideHMDB
Hpro-metHMDB
Hydroxyproline-methionine dipeptideHMDB
HydroxyprolylmethionineHMDB
L-Hydroxyprolyl-L-methionineHMDB
2-{[hydroxy(4-hydroxypyrrolidin-2-yl)methylidene]amino}-4-(methylsulfanyl)butanoateHMDB
2-{[hydroxy(4-hydroxypyrrolidin-2-yl)methylidene]amino}-4-(methylsulphanyl)butanoateHMDB
2-{[hydroxy(4-hydroxypyrrolidin-2-yl)methylidene]amino}-4-(methylsulphanyl)butanoic acidHMDB
Chemical FormulaC10H18N2O4S
Average Molecular Weight262.326
Monoisotopic Molecular Weight262.098727764
IUPAC Name2-[(4-hydroxypyrrolidin-2-yl)formamido]-4-(methylsulfanyl)butanoic acid
Traditional Name2-[(4-hydroxypyrrolidin-2-yl)formamido]-4-(methylsulfanyl)butanoic acid
CAS Registry NumberNot Available
SMILES
CSCCC(NC(=O)C1CC(O)CN1)C(O)=O
InChI Identifier
InChI=1S/C10H18N2O4S/c1-17-3-2-7(10(15)16)12-9(14)8-4-6(13)5-11-8/h6-8,11,13H,2-5H2,1H3,(H,12,14)(H,15,16)
InChI KeyXTTZAXBOUXWPAU-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as peptides. Peptides are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentPeptides
Alternative Parents
Substituents
  • Alpha peptide
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid or derivatives
  • Heterocyclic fatty acid
  • Hydroxy fatty acid
  • Thia fatty acid
  • Fatty acyl
  • Fatty acid
  • Pyrrolidine
  • 1,2-aminoalcohol
  • Amino acid or derivatives
  • Amino acid
  • Secondary alcohol
  • Carboximidic acid
  • Carboximidic acid derivative
  • Carboxylic acid
  • Secondary aliphatic amine
  • Monocarboxylic acid or derivatives
  • Azacycle
  • Organoheterocyclic compound
  • Dialkylthioether
  • Organic 1,3-dipolar compound
  • Propargyl-type 1,3-dipolar organic compound
  • Secondary amine
  • Sulfenyl compound
  • Thioether
  • Amine
  • Organopnictogen compound
  • Carbonyl group
  • Organonitrogen compound
  • Organooxygen compound
  • Organosulfur compound
  • Organic nitrogen compound
  • Alcohol
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • 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-1.9ALOGPS
logP-3.6ChemAxon
logS-1.7ALOGPS
pKa (Strongest Acidic)3.63ChemAxon
pKa (Strongest Basic)9.12ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area98.66 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity63.77 m³·mol⁻¹ChemAxon
Polarizability26.68 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 IDHMDB0028869
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB111899
KNApSAcK IDNot Available
Chemspider ID35032806
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound61157324
PDB IDNot Available
ChEBI ID174451
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available