Showing metabocard for Galactosylhydroxylysine (BMDB0000600)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-09-30 22:33:24 UTC
Update Date2020-05-11 20:43:59 UTC
BMDB IDBMDB0000600
Secondary Accession Numbers
  • BMDB00600
Metabolite Identification
Common NameGalactosylhydroxylysine
DescriptionGalactosylhydroxylysine, also known as hydroxylysine-galactose, belongs to the class of organic compounds known as glycosyl-amino acids. Glycosyl-amino acids are compounds consisting of saccharide linked through a glycosyl linkage (O-, N-, or S-) to an amino acid. Based on a literature review a significant number of articles have been published on Galactosylhydroxylysine.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
5-(beta-D-Galactopyranosyloxy)-L-lysineHMDB
5-(beta-delta-Galactopyranosyloxy)-L-lysineHMDB
5-O-beta-D-Galactopyranosylhydroxy-L-lysineHMDB
5-O-beta-delta-Galactopyranosylhydroxy-L-lysineHMDB
beta-1-Galactosyl-O-hydroxylysineHMDB
Galactopyranosylhydroxy-L-lysineHMDB
Galactosyl-delta-hydroxylysineHMDB
Hydroxylysine-galactoseHMDB
L-5-(beta-D-Galactopyranosyloxy)-lysineHMDB
L-5-(beta-delta-Galactopyranosyloxy)-lysineHMDB
O-beta-D-Galactopyranosylhydroxy-L-lysineHMDB
O-beta-delta-Galactopyranosylhydroxy-L-lysineHMDB
Procollagen (5-galactosyloxy)-L-lysineHMDB
(2S)-6-Amino-2-{n-hydroxy[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino}hexanoateHMDB
Chemical FormulaC12H24N2O8
Average Molecular Weight324.3276
Monoisotopic Molecular Weight324.153265754
IUPAC Name(2S)-6-amino-2-{N-hydroxy[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino}hexanoic acid
Traditional Namegalactosylhydroxylysine
CAS Registry Number32448-36-5
SMILES
NCCCC[C@H](N(O)C1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(O)=O
InChI Identifier
InChI=1S/C12H24N2O8/c13-4-2-1-3-6(12(19)20)14(21)11-10(18)9(17)8(16)7(5-15)22-11/h6-11,15-18,21H,1-5,13H2,(H,19,20)/t6-,7+,8-,9-,10+,11?/m0/s1
InChI KeyRCPOVANIIKXVTB-YPPRVYOWSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as glycosyl-amino acids. Glycosyl-amino acids are compounds consisting of saccharide linked through a glycosyl linkage (O-, N-, or S-) to an amino acid.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentGlycosyl-amino acids
Alternative Parents
Substituents
  • Glycosyl-amino-acid
  • Hexose monosaccharide
  • Glycosyl compound
  • N-glycosyl compound
  • N-hydroxyl-alpha-amino acid
  • Alpha-amino acid or derivatives
  • Medium-chain fatty acid
  • Amino fatty acid
  • Heterocyclic fatty acid
  • Hydroxy fatty acid
  • Monosaccharide
  • Oxane
  • Fatty acyl
  • Fatty acid
  • Secondary alcohol
  • Amino acid
  • Organoheterocyclic compound
  • Polyol
  • Carboxylic acid
  • Oxacycle
  • N-organohydroxylamine
  • Monocarboxylic acid or derivatives
  • Primary amine
  • Primary aliphatic amine
  • Alcohol
  • Organonitrogen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organic oxide
  • Organopnictogen compound
  • Carbonyl group
  • Organic oxygen compound
  • Primary alcohol
  • Organic nitrogen compound
  • Amine
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
StatusExpected but not Quantified
Origin
  • Endogenous
BiofunctionNot Available
ApplicationNot Available
Cellular locations
  • Cytoplasm
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting Point257.0 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-3ALOGPS
logP-5.3ChemAxon
logS-0.71ALOGPS
pKa (Strongest Acidic)3.91ChemAxon
pKa (Strongest Basic)10.2ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area176.94 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity72.01 m³·mol⁻¹ChemAxon
Polarizability31.94 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Biological Properties
Cellular Locations
  • Cytoplasm
Biospecimen Locations
  • Platelet
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
PlateletExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal
  • Not Applicable
 details
Abnormal Concentrations
Not Available
HMDB IDHMDB0000600
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB112162
KNApSAcK IDNot Available
Chemspider ID17215976
KEGG Compound IDC05547
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN ID5576
PubChem Compound22833535
PDB IDNot Available
ChEBI ID165859
References
Synthesis ReferenceAdamczyk, Maciej; Reddy, Rajarathnam E.; Rege, Sushil D. Synthesis of galactosylhydroxylysine and its analogs. Synthetic Communications (2000), 30(18), 3281-3290.
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available