| Common Name |
Galactosyl 4-hydroxyproline
| Description |
Galactosyl 4-hydroxyproline is found in cereals and cereal products. Galactosyl 4-hydroxyproline is isolated from hydrolysed wheat endospermGalactosyl 4-hydroxyproline belongs to the family of O-glycosyl Compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. (Reference: [1] IUPAC. Compendium of Chemical Terminology, 2nd ed. (the “Gold Book”). Compiled by A. D. McNaught and A. Wilkinson. Blackwell Scientific Publications, Oxford (1997). XML on-line corrected version: http://goldbook.iupac.org (2006-) created by M. Nic, J. Jirat, B. Kosata; updates compiled by A. Jenkins. ISBN 0-9678550-9-8. doi:10.1351/goldbook. (PAC, 1995, 67, 1307 (White Book, p. 85)).
| Structure |
MOLSDFPDBSMILESInChI
Structure for HMDB29353 (Galactosyl 4-hydroxyproline)
| Synonyms |
Not Available
| Chemical Formlia |
C11H19NO8
| Average Molecliar Weight |
293.2705
| Monoisotopic Molecliar Weight |
293.111066589
| IUPAC Name |
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 4-hydroxypyrrolidine-2-carboxylate
| Traditional Name |
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 4-hydroxypyrrolidine-2-carboxylate
| CAS Registry Number |
79284-73-4
| SMILES |
OCC1OC(OC(=O)C2CC(O)CN2)C(O)C(O)C1O
| InChI Identifier |
InChI=1S/C11H19NO8/c13-3-6-7(15)8(16)9(17)11(19-6)20-10(18)5-1-4(14)2-12-5/h4-9,11-17H,1-3H2
| InChI Key |
GUEWQMQDXXTGGY-UHFFFAOYSA-N
| Chemical Taxonomy |
| Description |
This compound belongs to the class of chemical entities known as alpha-amino acyl ester of carbohydrates. These are compounds containing an amino acid esterified with a carbohydrate.
| Kingdom |
Chemical entities
| Super Class |
Organic compounds
| Class |
Organic acids and derivatives
| Sub Class |
Carboxylic acids and derivatives
| Direct Parent |
Alpha-amino acyl ester of carbohydrates
| Alternative Parents |
Fatty acyl glycosides of mono- and disaccharides
Proline and derivatives
Hexoses
Pyrrolidine carboxylic acids
Oxanes
1,2-aminoalcohols
Carboxylic acid esters
Secondary alcohols
Monocarboxylic acids and derivatives
Azacyclic compounds
Dialkylamines
Acetals
Oxacyclic compounds
Polyols
Organic oxides
Hydrocarbon derivatives
Primary alcohols
Carbonyl compounds
Organopnictogen compounds
| Substituents |
Alpha-amino acyl ester of carbohydrate
Fatty acyl glycoside
Fatty acyl glycoside of mono- or disaccharide
Proline or derivatives
Hexose monosaccharide
Pyrrolidine carboxylic acid
Pyrrolidine carboxylic acid or derivatives
Monosaccharide
Oxane
Fatty acyl
Pyrrolidine
Carboxylic acid ester
1,2-aminoalcohol
Secondary alcohol
Secondary amine
Organoheterocyclic compound
Oxacycle
Polyol
Acetal
Azacycle
Secondary aliphatic amine
Monocarboxylic acid or derivatives
Hydrocarbon derivative
Alcohol
Organopnictogen compound
Organic oxygen compound
Organic nitrogen compound
Organonitrogen compound
Organooxygen compound
Carbonyl group
Amine
Primary alcohol
Organic oxide
Aliphatic heteromonocyclic compound
| Molecliar Framework |
Aliphatic heteromonocyclic compounds
| External Descriptors |
Not Available
| Ontology |
| Status |
Expected but not Quantified
| Origin |
Endogenous
Food
| Biofunction |
Not Available
| Application |
Nutrient
| Cellliar locations |
Cytoplasm
Extracellliar
| Physical Properties |
| State |
Not Available
| Experimental Properties |
| Property |
Value |
Reference |
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility237.0 mg/mLALOGPS
logP-2.3ALOGPS
logP-3.5ChemAxon
logS-0.09ALOGPS
pKa (Strongest Acidic)12.2ChemAxon
pKa (Strongest Basic)6.77ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area148.71 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity61.81 m3·mol-1ChemAxon
Polarizability27.95 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rlie of FiveYesChemAxon
Ghose FilterYesChemAxon
Vebers RlieYesChemAxon
MDDR-like RlieYesChemAxon
| Spectra |
| Spectra |
| Spectrum Type |
Description |
Splash Key |
|
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, NegativeNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, NegativeNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, NegativeNot Available
| Biological Properties |
| Cellliar Locations |
Cytoplasm
Extracellliar
| 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 |
FDB000418
| 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 |
HMDB29353
| Metagene Link |
HMDB29353
| METLIN ID |
Not Available
| PubChem Compound |
Not Available
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: GSK6853
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
- (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
|
PMID: 8401931