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