| Record Information |
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| Version | 1.0 |
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| Creation date | 2011-09-21 01:31:29 UTC |
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| Update date | 2015-07-21 06:59:16 UTC |
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| Primary ID | FDB027889 |
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| Secondary Accession Numbers | Not Available |
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| Chemical Information |
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| FooDB Name | 5-Amino-6-ribitylamino uracil |
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| Description | 5-Amino-6-ribitylamino uracil is an intermediate in riboflavin metabolism. It is converted from 5-Amino-6-(5'-phosphoribitylamino)uracil via dephosphorylation by the enzyme phosphohistidine phosphatase 1 (EC 3.1.3.-). It is considered to be the second product of the riboflavin synthase reaction (PMID: 14245407). Humans do not have all the enzymes needed to synthesize or metabolize riboflavin. However, gut microflora do have the necessary enzymatic machinery to produce and metabolize this vitamin. Riboflavin (or vitamin B2) is an easily absorbed micronutrient with a key role in maintaining health in humans and animals. It is the central component of the cofactors FAD and FMN, and is therefore required by all flavoproteins. Riboflavin is yellow or yellow-orange in color and in addition to being used as a food coloring it is also used to fortify some foods including baby foods, breakfast cereals, pastas, sauces, processed cheese, fruit drinks, vitamin-enriched milk products, some energy drinks, and vitamin supplements. [HMDB] |
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| CAS Number | Not Available |
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| Structure | |
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| Synonyms | |
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| Predicted Properties | |
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| Chemical Formula | C9H16N4O6 |
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| IUPAC name | 5-amino-6-[(2,3,4,5-tetrahydroxypentyl)amino]-1,2,3,4-tetrahydropyrimidine-2,4-dione |
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| InChI Identifier | InChI=1S/C9H16N4O6/c10-5-7(12-9(19)13-8(5)18)11-1-3(15)6(17)4(16)2-14/h3-4,6,14-17H,1-2,10H2,(H3,11,12,13,18,19) |
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| InChI Key | XKQZIXVJVUPORE-UHFFFAOYSA-N |
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| Isomeric SMILES | NC1=C(NCC(O)C(O)C(O)CO)NC(=O)NC1=O |
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| Average Molecular Weight | 276.2465 |
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| Monoisotopic Molecular Weight | 276.106984264 |
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| Classification |
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| Description | Belongs to the class of organic compounds known as pentoses. These are monosaccharides in which the carbohydrate moiety contains five carbon atoms. |
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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 | Pentoses |
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| Alternative Parents | |
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| Substituents | - Pentose monosaccharide
- Aminopyrimidine
- Pyrimidone
- Secondary aliphatic/aromatic amine
- Hydropyrimidine
- Pyrimidine
- Heteroaromatic compound
- Vinylogous amide
- Lactam
- Urea
- Secondary alcohol
- Polyol
- Azacycle
- Organoheterocyclic compound
- Secondary amine
- Primary alcohol
- Alcohol
- Hydrocarbon derivative
- Organonitrogen compound
- Organic oxide
- Organopnictogen compound
- Primary amine
- Amine
- Organic nitrogen compound
- Aromatic heteromonocyclic compound
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| Molecular Framework | Aromatic heteromonocyclic compounds |
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| External Descriptors | |
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| Ontology |
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| Disposition | Source: |
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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 | 5-Amino-6-ribitylamino uracil, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0903-9440000000-d4b6a6cff43cc761315f | Spectrum | | Predicted GC-MS | 5-Amino-6-ribitylamino uracil, 4 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-056r-6294350000-61d4d076b5309ed14bcb | 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 | splash10-056r-1190000000-2514b630f375b2189bfe | 2015-09-15 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-08fu-9750000000-779ce19c1a0e6b0c6932 | 2015-09-15 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a4i-9300000000-2f9fc8d8f57a4b3ca8c6 | 2015-09-15 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-01x0-5490000000-40e672b419cf2a89e723 | 2015-09-15 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0006-9210000000-e4e8a4b406ad4dfd459f | 2015-09-15 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-052f-9200000000-0e769fc743b8cee3b542 | 2015-09-15 | View Spectrum |
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| NMR | Not Available |
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| External Links |
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| ChemSpider ID | 216 |
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| ChEMBL ID | Not Available |
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| KEGG Compound ID | C04732 |
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| Pubchem Compound ID | 221 |
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| Pubchem Substance ID | Not Available |
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| ChEBI ID | 15934 |
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| Phenol-Explorer ID | Not Available |
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| DrugBank ID | Not Available |
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| HMDB ID | HMDB11106 |
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| CRC / DFC (Dictionary of Food Compounds) ID | Not Available |
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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 | |
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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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