Record Information |
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Version | 1.0 |
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Creation date | 2011-09-21 00:24:08 UTC |
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Update date | 2020-04-21 18:02:21 UTC |
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Primary ID | FDB023067 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | N-Acetylglucosamine 6-phosphate |
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Description | N-Acetylglucosamine 6-phosphate, also known as GLCNAC6P, belongs to the class of organic compounds known as acylaminosugars. These are organic compounds containing a sugar linked to a chain through N-acyl group. N-Acetylglucosamine 6-phosphate exists in all living organisms, ranging from bacteria to humans. N-Acetylglucosamine 6-phosphate has been detected, but not quantified in, several different foods, such as peach (var.), epazotes (Dysphania ambrosioides), oregon yampahs (Perideridia oregana), common cabbages (Brassica oleracea), and kombus (Saccharina japonica). This could make N-acetylglucosamine 6-phosphate a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on N-Acetylglucosamine 6-phosphate. |
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CAS Number | 1746-32-3 |
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Structure | |
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Synonyms | Synonym | Source |
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N-Acetylglucosamine 6-phosphoric acid | Generator | GlcNAc6p | MeSH | 2-Acetamido-2-deoxy-D-glucose 6-phosphate | HMDB | GlcNAc-6-P | HMDB | N-Acetyl-D-glucosamine 6-phosphate | HMDB | N-Acetylglucosamine 6-phosphate | HMDB | Glcnac6P | hmdb | N-Acetylglucosamine 6-phosphic acid | hmdb |
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Predicted Properties | |
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Chemical Formula | C8H16NO9P |
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IUPAC name | {[(2R,3S,4R,5R,6S)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methoxy}phosphonic acid |
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InChI Identifier | InChI=1S/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)/t4-,5-,6-,7-,8+/m1/s1 |
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InChI Key | BRGMHAYQAZFZDJ-PVFLNQBWSA-N |
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Isomeric SMILES | CC(=O)N[C@H]1[C@@H](O)O[C@H](COP(O)(O)=O)[C@@H](O)[C@@H]1O |
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Average Molecular Weight | 301.1877 |
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Monoisotopic Molecular Weight | 301.056267627 |
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Classification |
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Description | Belongs to the class of organic compounds known as acylaminosugars. These are organic compounds containing a sugar linked to a chain through N-acyl group. |
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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 | Acylaminosugars |
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Alternative Parents | |
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Substituents | - Acylaminosugar
- Hexose phosphate
- N-acyl-alpha-hexosamine
- Monosaccharide phosphate
- Monoalkyl phosphate
- Monosaccharide
- Organic phosphoric acid derivative
- Alkyl phosphate
- Oxane
- Phosphoric acid ester
- Acetamide
- 1,2-diol
- Carboxamide group
- Hemiacetal
- Secondary carboxylic acid amide
- Secondary alcohol
- Oxacycle
- Carboxylic acid derivative
- Organoheterocyclic compound
- Polyol
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Alcohol
- Organic nitrogen compound
- Organonitrogen compound
- Carbonyl group
- Aliphatic heteromonocyclic compound
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Molecular Framework | Aliphatic heteromonocyclic compounds |
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External Descriptors | |
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Ontology |
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Ontology | No ontology term |
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Physico-Chemical Properties - Experimental |
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Physico-Chemical Properties - Experimental | Property | Value | Reference |
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Physical state | Solid | |
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Physical Description | Not Available | |
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Mass Composition | Not Available | |
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Melting Point | Not Available | |
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Boiling Point | Not Available | |
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Experimental Water Solubility | Not Available | |
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Experimental logP | Not Available | |
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Experimental pKa | Not Available | |
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Isoelectric point | Not Available | |
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Charge | Not Available | |
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Optical Rotation | Not Available | |
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Spectroscopic UV Data | Not Available | |
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Density | Not Available | |
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Refractive Index | Not Available | |
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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-Acetylglucosamine 6-phosphate, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-000t-9740000000-cab3a2db3c6cb3b55bda | Spectrum | Predicted GC-MS | N-Acetylglucosamine 6-phosphate, 3 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0udi-7193580000-44b694ca09ff0a67ccf0 | Spectrum | Predicted GC-MS | N-Acetylglucosamine 6-phosphate, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | N-Acetylglucosamine 6-phosphate, 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 | splash10-0udi-2196000000-8aa0b82454ed7fe1de1b | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0w2a-4591000000-dca968a4092f312565ac | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-03dm-6900000000-933daf9b2c351b0a86b6 | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0v00-5931000000-4a813f2d6d4480fc5e41 | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-9100000000-8cdef6bcf81376fb24e2 | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9000000000-a998778a46bb52c7223a | 2015-09-15 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0udi-0393000000-d1dd3875fcda98185905 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0udi-2692000000-6d48d468a379d10f1080 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-000t-9200000000-ceb982e51eab41177ff3 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0f92-9034000000-ec11d92a6d8dc4228cbe | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-9010000000-499ace1dadd3a5590458 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9000000000-4bf2b9a14f4e1c8fc62a | 2021-09-22 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | 388358 |
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ChEMBL ID | Not Available |
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KEGG Compound ID | Not Available |
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Pubchem Compound ID | 439219 |
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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 | HMDB02817 |
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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 | 16G |
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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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Food | Content Range | Average | Reference |
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Food | | | Reference |
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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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