Record Information |
---|
Version | 1.0 |
---|
Creation Date | 2016-05-27 01:48:45 UTC |
---|
Update Date | 2016-11-09 01:22:36 UTC |
---|
Accession Number | CHEM042063 |
---|
Identification |
---|
Common Name | 5-amino-6-(D-ribitylamino)uracil |
---|
Class | Small Molecule |
---|
Description | 5-amino-6-(d-ribitylamino)uracil, also known as 5-amino-6-ribitylamino-2,4-(1h,3h)pyrimidinedione or 5-arpd, is a member of the class of compounds known as pentoses. Pentoses are monosaccharides in which the carbohydrate moiety contains five carbon atoms. 5-amino-6-(d-ribitylamino)uracil is soluble (in water) and a very weakly acidic compound (based on its pKa). 5-amino-6-(d-ribitylamino)uracil can be found in a number of food items such as radish (variety), chinese cabbage, common beet, and spinach, which makes 5-amino-6-(d-ribitylamino)uracil a potential biomarker for the consumption of these food products. 5-amino-6-(d-ribitylamino)uracil exists in E.coli (prokaryote) and yeast (eukaryote). |
---|
Contaminant Sources | |
---|
Contaminant Type | Not Available |
---|
Chemical Structure | |
---|
Synonyms | Value | Source |
---|
5-Amino-6-(D-ribitylamino)uracil | Kegg | 6-(1-D-Ribitylamino)-5-amino-2,4-dihydroxypyrimidine | Kegg | 6-(1-D-Ribitylamino)-5-aminouracil | Kegg | 4-(1-D-Ribitylamino)-5-amino-2,6-dihydroxypyrimidine | Kegg | 5-a-RU | HMDB | 5-Amino-2,6-dioxo-4-ribitylaminopyrimidine | HMDB | 5-Amino-6-(1-D-ribitylamino)uracil | HMDB | 5-Amino-6-ribitylamino-2,4-(1H,3H)pyrimidinedione | HMDB | 5-Amino-6-ribitylaminouracil | HMDB | 5-Arpd | HMDB | a-4-RAP | HMDB | 1-[(5-Amino-1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinyl)amino]-1-deoxy-D-ribitol | HMDB | 4-(1'-D-Ribitylamino)-5-amino-2,6-dihydroxypyrimidine | HMDB | 4-(1’-D-ribitylamino)-5-amino-2,6-dihydroxypyrimidine | HMDB | 4-(Ribitylamino)-5-aminouracil | HMDB | 4-Ribitylamino-5-amino-2,6-dihydroxypyrimidine | HMDB | 5-Amino-4-D-ribitylaminouracil | HMDB | 5-Amino-6-ribitylamino-2,4(1H,3H)-pyrimidinedione | HMDB | ARP | HMDB | 5-Amino-6-ribitylamino uracil | HMDB |
|
---|
Chemical Formula | C9H16N4O6 |
---|
Average Molecular Mass | 276.247 g/mol |
---|
Monoisotopic Mass | 276.107 g/mol |
---|
CAS Registry Number | Not Available |
---|
IUPAC Name | 5-amino-6-{[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]amino}-1,2,3,4-tetrahydropyrimidine-2,4-dione |
---|
Traditional Name | 5-arpd |
---|
SMILES | NC1=C(NC[C@H](O)[C@H](O)[C@H](O)CO)NC(=O)NC1=O |
---|
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)/t3-,4+,6-/m0/s1 |
---|
InChI Key | XKQZIXVJVUPORE-RPDRRWSUSA-N |
---|
Chemical Taxonomy |
---|
Description | belongs to the class of organic compounds known as pentoses. These are monosaccharides in which the carbohydrate moiety contains five carbon atoms. |
---|
Kingdom | Organic compounds |
---|
Super Class | Organic oxygen compounds |
---|
Class | Organooxygen compounds |
---|
Sub Class | Carbohydrates and carbohydrate conjugates |
---|
Direct Parent | Pentoses |
---|
Alternative Parents | |
---|
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
|
---|
Molecular Framework | Aromatic heteromonocyclic compounds |
---|
External Descriptors | |
---|
Biological Properties |
---|
Status | Detected and Not Quantified |
---|
Origin | Not Available |
---|
Cellular Locations | Not Available |
---|
Biofluid Locations | Not Available |
---|
Tissue Locations | Not Available |
---|
Pathways | Not Available |
---|
Applications | Not Available |
---|
Biological Roles | Not Available |
---|
Chemical Roles | Not Available |
---|
Physical Properties |
---|
State | Not Available |
---|
Appearance | Not Available |
---|
Experimental Properties | Property | Value |
---|
Melting Point | Not Available | Boiling Point | Not Available | Solubility | Not Available |
|
---|
Predicted Properties | |
---|
Spectra |
---|
Spectra | Spectrum Type | Description | Splash Key | View |
---|
Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | splash10-0903-9440000000-d4b6a6cff43cc761315f | Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (TBDMS_4_38) - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS ("5-Amino-6-ribitylamino uracil,4TBDMS,#38" TMS) - 70eV, Positive | Not Available | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-056r-1190000000-2514b630f375b2189bfe | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-08fu-9750000000-779ce19c1a0e6b0c6932 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a4i-9300000000-2f9fc8d8f57a4b3ca8c6 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-01x0-5490000000-40e672b419cf2a89e723 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0006-9210000000-e4e8a4b406ad4dfd459f | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-052f-9200000000-0e769fc743b8cee3b542 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-004i-0090000000-04a8c31cda1ce3aa2de8 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-054o-0490000000-f4be226ba3308c6193ea | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0a4l-9700000000-b24f4f1baf9ef6a124b9 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-056r-0290000000-dbb8670827f983a8ba0f | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-052g-2900000000-2170e047feac10873419 | Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-9400000000-c7d08326dc254630e183 | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum | 1D NMR | 1H NMR Spectrum | Not Available | Spectrum | 1D NMR | 13C NMR Spectrum | Not Available | Spectrum |
|
---|
Toxicity Profile |
---|
Route of Exposure | Not Available |
---|
Mechanism of Toxicity | Not Available |
---|
Metabolism | Not Available |
---|
Toxicity Values | Not Available |
---|
Lethal Dose | Not Available |
---|
Carcinogenicity (IARC Classification) | Not Available |
---|
Uses/Sources | Not Available |
---|
Minimum Risk Level | Not Available |
---|
Health Effects | Not Available |
---|
Symptoms | Not Available |
---|
Treatment | Not Available |
---|
Concentrations |
---|
| Not Available |
---|
External Links |
---|
DrugBank ID | Not Available |
---|
HMDB ID | HMDB0011106 |
---|
FooDB ID | FDB030561 |
---|
Phenol Explorer ID | Not Available |
---|
KNApSAcK ID | Not Available |
---|
BiGG ID | Not Available |
---|
BioCyc ID | AMINO-RIBOSYLAMINO-1H-3H-PYR-DIONE |
---|
METLIN ID | Not Available |
---|
PDB ID | Not Available |
---|
Wikipedia Link | Not Available |
---|
Chemspider ID | 167930 |
---|
ChEBI ID | 15934 |
---|
PubChem Compound ID | 193516 |
---|
Kegg Compound ID | C04732 |
---|
YMDB ID | YMDB00765 |
---|
ECMDB ID | ECMDB23016 |
---|
References |
---|
Synthesis Reference | Not Available |
---|
MSDS | Not Available |
---|
General References | |
---|