Record Information |
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Version | 1.0 |
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Creation date | 2010-04-08 22:12:46 UTC |
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Update date | 2015-07-20 23:34:38 UTC |
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Primary ID | FDB016993 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | N-(1-Deoxy-1-fructosyl)serine |
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Description | N-(1-Deoxy-1-fructosyl)serine belongs to the class of organic compounds known as serine and derivatives. Serine and derivatives are compounds containing serine or a derivative thereof resulting from reaction of serine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Based on a literature review very few articles have been published on N-(1-Deoxy-1-fructosyl)serine. |
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CAS Number | 87251-79-4 |
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Structure | |
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Synonyms | |
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Predicted Properties | |
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Chemical Formula | C9H17NO8 |
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IUPAC name | (2S)-3-hydroxy-2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)propanoic acid |
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InChI Identifier | InChI=1S/C9H17NO8/c11-1-4(8(15)16)10-3-9(17)7(14)6(13)5(2-12)18-9/h4-7,10-14,17H,1-3H2,(H,15,16)/t4-,5+,6+,7-,9?/m0/s1 |
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InChI Key | KUVQLWYPNUQGDT-MBGOVIFWSA-N |
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Isomeric SMILES | OC[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(O)=O |
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Average Molecular Weight | 267.2332 |
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Monoisotopic Molecular Weight | 267.095416525 |
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Classification |
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Description | Belongs to the class of organic compounds known as serine and derivatives. Serine and derivatives are compounds containing serine or a derivative thereof resulting from reaction of serine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
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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 | Serine and derivatives |
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Alternative Parents | |
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Substituents | - Serine or derivatives
- C-glycosyl compound
- Glycosyl compound
- Alpha-amino acid
- Pentose monosaccharide
- L-alpha-amino acid
- Beta-hydroxy acid
- Hydroxy acid
- Monosaccharide
- Tetrahydrofuran
- Amino acid
- Hemiacetal
- Secondary alcohol
- Organoheterocyclic compound
- Polyol
- Secondary amine
- Carboxylic acid
- Secondary aliphatic amine
- Oxacycle
- Monocarboxylic acid or derivatives
- Primary alcohol
- Alcohol
- Organopnictogen compound
- Organic oxygen compound
- Organonitrogen compound
- Organooxygen compound
- Carbonyl group
- Organic nitrogen compound
- Hydrocarbon derivative
- Amine
- 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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Ontology |
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Disposition | Source: |
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Role | Biological role: |
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Physico-Chemical Properties |
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Physico-Chemical Properties - Experimental | |
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Spectra |
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Spectra | |
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EI-MS/GC-MS | Type | Description | Splash Key | View |
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Predicted GC-MS | N-(1-Deoxy-1-fructosyl)serine, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-00di-9230000000-03f4d887a26b1a9098f0 | Spectrum | Predicted GC-MS | N-(1-Deoxy-1-fructosyl)serine, 5 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-03di-6401179000-c2ca6630932ed0689d48 | Spectrum | Predicted GC-MS | N-(1-Deoxy-1-fructosyl)serine, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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MS/MS | Type | Description | Splash Key | View |
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Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0gb9-3590000000-f6c6756c7424fdf17d53 | 2016-08-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0uk9-4490000000-99074fb8cc0cf33a3e89 | 2016-08-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0v4l-9500000000-f8ea3efdb1c58bd81bbc | 2016-08-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-014i-2590000000-40ccb3b77aa3e4ddea68 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0v4s-3390000000-e578216fd4ab3b1b1e4a | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-9100000000-02b644a904ace12d303e | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0gc0-0090000000-080feeec4d5e1e95af5d | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-014i-3940000000-787ff72cbd74010893cb | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0nmi-9600000000-03f630a826b2db42235e | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-014i-0390000000-80a6d875e85360b2e9d6 | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0avj-7910000000-6c30ffd8bbd2d5b68640 | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0pi3-9300000000-6d625e7ddef93b6e8ce5 | 2021-09-25 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | Not Available |
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ChEMBL ID | Not Available |
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KEGG Compound ID | Not Available |
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Pubchem Compound ID | Not Available |
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Pubchem Substance ID | Not Available |
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ChEBI ID | Not Available |
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Phenol-Explorer ID | Not Available |
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DrugBank ID | Not Available |
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HMDB ID | HMDB37842 |
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CRC / DFC (Dictionary of Food Compounds) ID | KDR03-I:KVV04-Z |
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EAFUS ID | Not Available |
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Dr. Duke ID | Not Available |
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BIGG ID | Not Available |
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KNApSAcK ID | Not Available |
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HET ID | Not Available |
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Food Biomarker Ontology | Not Available |
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VMH ID | Not Available |
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Flavornet ID | Not Available |
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GoodScent ID | Not Available |
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SuperScent ID | Not Available |
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Wikipedia ID | Not Available |
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Phenol-Explorer Metabolite ID | Not Available |
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Duplicate IDS | Not Available |
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Old DFC IDS | Not Available |
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Associated Foods |
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Biological Effects and Interactions |
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Health Effects / Bioactivities | Not Available |
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Enzymes | Not Available |
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Pathways | Not Available |
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Metabolism | Not Available |
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Biosynthesis | Not Available |
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Organoleptic Properties |
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Flavours | Not Available |
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Files |
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MSDS | Not Available |
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References |
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Synthesis Reference | Not Available |
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General Reference | Not Available |
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Content Reference | |
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