| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-25 20:49:13 UTC |
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| Update Date | 2016-11-09 01:17:38 UTC |
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| Accession Number | CHEM023081 |
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| Identification |
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| Common Name | Galactosyl 4-hydroxyproline |
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| Class | Small Molecule |
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| Description | Isolated from hydrolysed wheat endosperm. Galactosyl 4-hydroxyproline is found in cereals and cereal products. |
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| Contaminant Sources | |
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| Contaminant Type | Not Available |
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| Chemical Structure | |
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| Synonyms | | Value | Source |
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| 3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl 4-hydroxypyrrolidine-2-carboxylic acid | Generator |
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| Chemical Formula | C11H19NO8 |
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| Average Molecular Mass | 293.271 g/mol |
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| Monoisotopic Mass | 293.111 g/mol |
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| CAS Registry Number | 79284-73-4 |
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| IUPAC Name | 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 4-hydroxypyrrolidine-2-carboxylate |
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| Traditional Name | 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 4-hydroxypyrrolidine-2-carboxylate |
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| SMILES | OCC1OC(OC(=O)C2CC(O)CN2)C(O)C(O)C1O |
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| 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 |
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| InChI Key | GUEWQMQDXXTGGY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as alpha-amino acyl ester of carbohydrates. Alpha-amino acyl ester of carbohydrates are compounds containing an amino acid esterified with a carbohydrate. |
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| Kingdom | Organic compounds |
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| Super Class | Organic acids and derivatives |
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| Class | Carboxylic acids and derivatives |
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| Sub Class | Amino acids, peptides, and analogues |
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| Direct Parent | Alpha-amino acyl ester of carbohydrates |
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| Alternative Parents | |
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| 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
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| Molecular Framework | Aliphatic heteromonocyclic compounds |
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| External Descriptors | Not Available |
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| Biological Properties |
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| Status | Detected and Not Quantified |
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| Origin | Not Available |
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| Cellular Locations | Not Available |
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| Biofluid Locations | Not Available |
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| Tissue Locations | Not Available |
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| Pathways | Not Available |
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| Applications | Not Available |
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| Biological Roles | Not Available |
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| Chemical Roles | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Appearance | Not Available |
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| Experimental Properties | | Property | Value |
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| Melting Point | Not Available | | Boiling Point | Not Available | | Solubility | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | | Spectrum Type | Description | Splash Key | View |
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| Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-000i-9220000000-7f7202983438a0d77782 | Spectrum | | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (5 TMS) - 70eV, Positive | splash10-001i-0191001000-c0135205dedeea689d30 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-03fr-1950000000-0b9e746cbd5a98fabc51 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03di-3920000000-8cc5b30f32a8aa9e4225 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-03di-9800000000-adbf40c77cc60c28a3e2 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-03di-2920000000-61d77deb30a7083fb3e5 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-03di-3910000000-9215f19d0a2970cc11b5 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-06sl-9500000000-0ca20dd173ed614c7986 | Spectrum |
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| Toxicity Profile |
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| Route of Exposure | Not Available |
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| Mechanism of Toxicity | Not Available |
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| Metabolism | Not Available |
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| Toxicity Values | Not Available |
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| Lethal Dose | Not Available |
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| Carcinogenicity (IARC Classification) | Not Available |
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| Uses/Sources | Not Available |
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| Minimum Risk Level | Not Available |
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| Health Effects | Not Available |
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| Symptoms | Not Available |
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| Treatment | Not Available |
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| Concentrations |
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| Not Available |
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| External Links |
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| DrugBank ID | Not Available |
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| HMDB ID | HMDB0029353 |
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| FooDB ID | FDB000418 |
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| Phenol Explorer ID | Not Available |
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| KNApSAcK ID | Not Available |
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| BiGG ID | Not Available |
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| BioCyc ID | Not Available |
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| METLIN ID | Not Available |
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| PDB ID | Not Available |
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| Wikipedia Link | Not Available |
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| Chemspider ID | Not Available |
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| ChEBI ID | Not Available |
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| PubChem Compound ID | 131750858 |
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| Kegg Compound ID | Not Available |
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| YMDB ID | Not Available |
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| ECMDB ID | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| MSDS | Not Available |
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| General References | Not Available |
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