Record Information |
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Version | 1.0 |
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Creation date | 2011-09-21 00:13:51 UTC |
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Update date | 2017-04-03 04:53:11 UTC |
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Primary ID | FDB022429 |
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Secondary Accession Numbers | Not Available |
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Chemical Information |
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FooDB Name | Glucosamine-1P |
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Description | Glucosamine-1P belongs to the class of organic compounds known as monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked to the carbohydrate unit. Glucosamine-1P has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make glucosamine-1P a potential biomarker for the consumption of these foods. Based on a literature review a small amount of articles have been published on Glucosamine-1P. |
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CAS Number | 2152-75-2 |
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Structure | |
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Synonyms | |
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Predicted Properties | |
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Chemical Formula | C6H14NO8P |
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IUPAC name | {[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phosphonic acid |
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InChI Identifier | InChI=1S/C6H14NO8P/c7-3-5(10)4(9)2(1-8)14-6(3)15-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6+/m1/s1 |
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InChI Key | YMJBYRVFGYXULK-UKFBFLRUSA-N |
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Isomeric SMILES | N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OP(O)(O)=O |
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Average Molecular Weight | 259.151 |
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Monoisotopic Molecular Weight | 259.045702941 |
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Classification |
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Description | Belongs to the class of organic compounds known as monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked to the carbohydrate unit. |
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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 | Monosaccharide phosphates |
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Alternative Parents | |
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Substituents | - Hexose monosaccharide
- Monosaccharide phosphate
- Monoalkyl phosphate
- Amino saccharide
- Organic phosphoric acid derivative
- Alkyl phosphate
- Oxane
- Phosphoric acid ester
- 1,2-aminoalcohol
- Secondary alcohol
- Oxacycle
- Organoheterocyclic compound
- Organic nitrogen compound
- Primary alcohol
- Primary amine
- Organonitrogen compound
- Hydrocarbon derivative
- Organic oxide
- Primary aliphatic amine
- Organopnictogen compound
- Amine
- Alcohol
- 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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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 | Glucosamine-1P, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0002-9010000000-c413c43d55923aba0339 | Spectrum | Predicted GC-MS | Glucosamine-1P, 3 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0002-9221100000-f47734cb47838df97314 | Spectrum | Predicted GC-MS | Glucosamine-1P, 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 | splash10-03dl-1290000000-3d8e23152cf47d769d59 | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-01ow-9540000000-2ffaf840f0533d41b23a | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0005-9200000000-fa9c34d54d05093e88e2 | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-054t-9010000000-f2ab744005f6926c7d56 | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-9100000000-7b2ef6e6740d1eca550e | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9000000000-1f182ffd6b87eef6d439 | 2017-09-01 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-01ox-0950000000-71f794041aa063b06327 | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03dl-0910000000-ed4ef1116c16559396ad | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-06xx-9100000000-24492f28f22df569482f | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0a6s-9060000000-6d1b9e9bee3990984281 | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-9020000000-311cfec5d92bb340873b | 2021-09-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9000000000-3cf0c4840bc4f9893635 | 2021-09-25 | View Spectrum |
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NMR | Not Available |
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External Links |
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ChemSpider ID | 8140645 |
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ChEMBL ID | Not Available |
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KEGG Compound ID | Not Available |
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Pubchem Compound ID | 9965052 |
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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 | HMDB01109 |
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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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