| Common Name |
4-Hydroxyproline galactoside
| Description |
4-Hydroxyproline galactoside is found in cereals and cereal products. 4-Hydroxyproline galactoside is isolated from hydrolysed wheat endosperm4-Hydroxyproline galactoside belongs to the family of Glycoamino Acids and Derivatives. These are saccharides attached to a single amino acid by any kind ofA covalent bond. A glycosyl-amino-acid is a compound consisting of saccharide linked through a glycosyl linkage (O-,A N-, orA S-) to an amino acid[1]. (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 HMDB29354 (4-Hydroxyproline galactoside)
| Synonyms |
Not Available
| Chemical Formlia |
C11H19NO8
| Average Molecliar Weight |
293.2705
| Monoisotopic Molecliar Weight |
293.111066589
| IUPAC Name |
4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pyrrolidine-2-carboxylic acid
| Traditional Name |
4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pyrrolidine-2-carboxylic acid
| CAS Registry Number |
80185-44-0
| SMILES |
OCC1OC(OC2CNC(C2)C(O)=O)C(O)C(O)C1O
| InChI Identifier |
InChI=1S/C11H19NO8/c13-3-6-7(14)8(15)9(16)11(20-6)19-4-1-5(10(17)18)12-2-4/h4-9,11-16H,1-3H2,(H,17,18)
| InChI Key |
OJEYXWIZDRJBDC-UHFFFAOYSA-N
| Chemical Taxonomy |
| Description |
This compound belongs to the class of chemical entities known as fatty acyl glycosides of mono- and disaccharides. These are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol.
| Kingdom |
Chemical entities
| Super Class |
Organic compounds
| Class |
Lipids and lipid-like moleclies
| Sub Class |
Fatty Acyls
| Direct Parent |
Fatty acyl glycosides of mono- and disaccharides
| Alternative Parents |
Proline and derivatives
Hexoses
O-glycosyl compounds
Alpha amino acids
Pyrrolidine carboxylic acids
Oxanes
Secondary alcohols
Amino acids
Acetals
Polyols
Azacyclic compounds
Carboxylic acids
Dialkylamines
Monocarboxylic acids and derivatives
Oxacyclic compounds
Primary alcohols
Hydrocarbon derivatives
Carbonyl compounds
Organopnictogen compounds
Organic oxides
| Substituents |
Fatty acyl glycoside of mono- or disaccharide
Proline or derivatives
Hexose monosaccharide
Glycosyl compound
O-glycosyl compound
Alpha-amino acid
Alpha-amino acid or derivatives
Pyrrolidine carboxylic acid or derivatives
Pyrrolidine carboxylic acid
Monosaccharide
Oxane
Pyrrolidine
Amino acid or derivatives
Amino acid
Secondary alcohol
Acetal
Carboxylic acid derivative
Carboxylic acid
Secondary aliphatic amine
Oxacycle
Monocarboxylic acid or derivatives
Azacycle
Organoheterocyclic compound
Secondary amine
Polyol
Organic oxide
Organic nitrogen compound
Hydrocarbon derivative
Organic oxygen compound
Amine
Organopnictogen compound
Carbonyl group
Organonitrogen compound
Organooxygen compound
Alcohol
Primary alcohol
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 Solubility186.0 mg/mLALOGPS
logP-2.8ALOGPS
logP-5.5ChemAxon
logS-0.2ALOGPS
pKa (Strongest Acidic)1.23ChemAxon
pKa (Strongest Basic)10.51ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count9ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area148.71 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity61.8 m3·mol-1ChemAxon
Polarizability27.65 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 |
FDB000419
| 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 |
HMDB29354
| Metagene Link |
HMDB29354
| METLIN ID |
Not Available
| PubChem Compound |
Not Available
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: Cetrorelix (Acetate)
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: 1325915
