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 23:34:40 UTC |
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Primary ID | FDB016999 |
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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)glycine |
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Description | N-(1-Deoxy-1-fructosyl)glycine belongs to the class of organic compounds known as c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond. Based on a literature review very few articles have been published on N-(1-Deoxy-1-fructosyl)glycine. |
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CAS Number | 60644-20-4 |
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Structure | |
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Synonyms | |
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Predicted Properties | |
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Chemical Formula | C8H15NO7 |
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IUPAC name | 2-({[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)acetic acid |
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InChI Identifier | InChI=1S/C8H15NO7/c10-2-4-6(13)7(14)8(15,16-4)3-9-1-5(11)12/h4,6-7,9-10,13-15H,1-3H2,(H,11,12)/t4-,6-,7+,8?/m1/s1 |
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InChI Key | UKKRCTOBKMVJGX-STUHELBRSA-N |
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Isomeric SMILES | OC[C@H]1OC(O)(CNCC(O)=O)[C@@H](O)[C@@H]1O |
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Average Molecular Weight | 237.2072 |
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Monoisotopic Molecular Weight | 237.084851839 |
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Classification |
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Description | Belongs to the class of organic compounds known as c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond. |
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Kingdom | Organic compounds |
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Super Class | Organic oxygen compounds |
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Class | Organooxygen compounds |
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Sub Class | Carbohydrates and carbohydrate conjugates |
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Direct Parent | C-glycosyl compounds |
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Alternative Parents | |
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Substituents | - C-glycosyl compound
- Alpha-amino acid
- Alpha-amino acid or derivatives
- Pentose monosaccharide
- Monosaccharide
- Tetrahydrofuran
- Amino acid or derivatives
- Amino acid
- Hemiacetal
- Secondary alcohol
- Carboxylic acid derivative
- Polyol
- Secondary amine
- Carboxylic acid
- Organoheterocyclic compound
- Monocarboxylic acid or derivatives
- Oxacycle
- Secondary aliphatic amine
- Alcohol
- Organonitrogen compound
- Primary alcohol
- Carbonyl group
- Hydrocarbon derivative
- Organic oxide
- Amine
- Organopnictogen compound
- Organic nitrogen compound
- 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)glycine, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-000i-9110000000-f7dd00056d5695787de3 | Spectrum | Predicted GC-MS | N-(1-Deoxy-1-fructosyl)glycine, 5 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-03di-2900140000-a51033e1123c5727d025 | Spectrum | Predicted GC-MS | N-(1-Deoxy-1-fructosyl)glycine, 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 | splash10-000i-9680000000-0c8a16482ac9127c8676 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-007c-9740000000-fc6f5d81c78c09ce4c4e | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0006-9000000000-af64521d066d4d1da313 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-000i-4490000000-c4b82de35e51fd4fad21 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-00dr-9350000000-259ae05925098259e201 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-006x-9000000000-4e8724cb8113c71e7f45 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0fe0-0090000000-47d0dfa1e40814742016 | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0079-6970000000-ff44f4e65c43193f1024 | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-000f-9100000000-28a67d2f350cd92e9bf4 | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-000i-1390000000-f23b558d556e7fbb252f | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-00n0-2930000000-6645bc4c243931337a4b | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0ab9-9300000000-b4f15f0e6f685a6ece2a | 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 | HMDB37848 |
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CRC / DFC (Dictionary of Food Compounds) ID | KDR03-I:KVV24-F |
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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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