Record Information |
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Version |
1.0 |
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Update Date |
1/22/2018 12:54:54 PM |
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Metabolite ID | PAMDB001656 |
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Identification |
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Name: |
N-Acetyl-D-glucosamine(anhydrous)N-Acetylmuramic acid |
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Description: | N-acetyl-d-glucosamine(anhydrous)n-acetylmuramic acid belongs to the class of Hexoses. These are monosaccharides in which the sugar unit is a hexose. (inferred from compound structure) |
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Structure |
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Synonyms: | - N-Acetyl-D-glucosamine(anhydrous)N-Acetylmuramate
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Chemical Formula: |
C19H30N2O12 |
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Average Molecular Weight: |
478.4477 |
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Monoisotopic Molecular
Weight: |
478.179874434 |
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InChI Key: |
MWWQKONGFKUAEK-AJSMYUJSSA-N |
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InChI: | InChI=1S/C19H30N2O12/c1-6(17(27)28)30-16-12(21-8(3)24)18-29-5-10(32-18)15(16)33-19-11(20-7(2)23)14(26)13(25)9(4-22)31-19/h6,9-16,18-19,22,25-26H,4-5H2,1-3H3,(H,20,23)(H,21,24)(H,27,28)/t6?,9-,10?,11-,12?,13-,14-,15?,16?,18?,19+/m1/s1 |
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CAS
number: |
Not Available |
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IUPAC Name: | 2-[(2-{[(2S,3R,4R,5S,6R)-4,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(1-hydroxyethylidene)amino]-6,8-dioxabicyclo[3.2.1]octan-3-yl)oxy]propanoic acid |
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Traditional IUPAC Name: |
2-[(2-{[(2S,3R,4R,5S,6R)-4,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(1-hydroxyethylidene)amino]-6,8-dioxabicyclo[3.2.1]octan-3-yl)oxy]propanoic acid |
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SMILES: | CC(OC1C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N=C(C)O)C2COC(O2)C1N=C(C)O)C(O)=O |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of organic compounds known as n-acyl-alpha-hexosamines. These are carbohydrate derivatives containing a hexose moiety in which the oxygen atom is replaced by an n-acyl group. |
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Kingdom |
Organic compounds |
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Super Class | Organooxygen compounds |
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Class |
Carbohydrates and carbohydrate conjugates |
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Sub Class | Aminosaccharides |
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Direct Parent |
N-acyl-alpha-hexosamines |
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Alternative Parents |
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Substituents |
- N-acyl-alpha-hexosamine
- Glucosamine
- Amino sugar
- O-glycosyl compound
- Glycosyl compound
- Disaccharide
- Oxepane
- Oxane
- Meta-dioxolane
- Secondary alcohol
- 1,2-diol
- Oxacycle
- Organoheterocyclic compound
- Organic 1,3-dipolar compound
- Propargyl-type 1,3-dipolar organic compound
- Monocarboxylic acid or derivatives
- Ether
- Dialkyl ether
- Carboxylic acid
- Carboxylic acid derivative
- Carboximidic acid derivative
- Carboximidic acid
- Acetal
- Hydrocarbon derivative
- Primary alcohol
- Organonitrogen compound
- Carbonyl group
- Alcohol
- Aliphatic heteropolycyclic compound
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Molecular Framework |
Aliphatic heteropolycyclic compounds |
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External Descriptors |
Not Available |
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Physical Properties |
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State: |
Not Available |
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Charge: | -1 |
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Melting point: |
Not Available |
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Experimental Properties: |
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Predicted Properties |
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Biological Properties |
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Cellular Locations: |
Cytoplasm |
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Reactions: | |
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Pathways: |
Not Available |
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Spectra |
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Spectra: |
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References |
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References: |
Not Available |
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Synthesis Reference: |
Not Available |
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Material Safety Data Sheet (MSDS) |
Not Available |
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Links |
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External Links: |
Resource | Link |
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CHEBI ID | Not Available | HMDB ID | Not Available | Pubchem Compound ID | 45479497 | Kegg ID | Not Available | ChemSpider ID | Not Available | Wikipedia ID | Not Available | BioCyc ID | Not Available |
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