| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:33:06 UTC |
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| Update date | 2017-01-19 02:36:39 UTC |
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| FoodComEx ID | PC000860 |
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| FoodDB Record | FDB023131 |
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| Chemical Information |
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| Name | Muramic acid |
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| Description | Muramic acid is a marker of bacterial peptidoglycan, in environmental and clinical specimens. (PMID: 10778926) [HMDB] |
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| CAS Number | 1114-41-6 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| (+)-Muramate | hmdb | | (+)-Muramic acid | hmdb | | 3-O-alpha-Carboxyethyl-D-glucosamine | hmdb | | 3-O-alpha-Carboxyethyl-delta-glucosamine | hmdb | | Muramate | hmdb | | Muramic acid hydrate | hmdb | | Murexide | hmdb |
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| Chemical Formula | C9H17NO7 |
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| IUPAC name | (2R)-2-{[(2R,3R,4S,5S,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}propanoic acid |
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| InChI Identifier | InChI=1S/C9H17NO7/c1-3(8(13)14)16-7-5(10)9(15)17-4(2-11)6(7)12/h3-7,9,11-12,15H,2,10H2,1H3,(H,13,14)/t3-,4-,5-,6-,7+,9-/m1/s1 |
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| InChI Key | MSFSPUZXLOGKHJ-LEISLEKSSA-N |
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| Isomeric SMILES | C[C@@H](O[C@H]1[C@@H](N)[C@H](O)O[C@H](CO)[C@H]1O)C(O)=O |
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| Average Molecular Weight | 251.2338 |
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| Monoisotopic Molecular Weight | 251.100501903 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as sugar acids and derivatives. Sugar acids and derivatives are compounds containing a saccharide unit which bears a carboxylic acid 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 | Sugar acids and derivatives |
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| Alternative Parents | |
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| Substituents | - Muramic_acid
- Hexose monosaccharide
- Amino saccharide
- Sugar acid
- Monosaccharide
- Oxane
- Amino acid or derivatives
- Hemiacetal
- Amino acid
- Secondary alcohol
- Carboxylic acid derivative
- Carboxylic acid
- Dialkyl ether
- Ether
- Monocarboxylic acid or derivatives
- Oxacycle
- Organoheterocyclic compound
- Primary aliphatic amine
- Organic oxide
- Organopnictogen compound
- Organic nitrogen compound
- Amine
- Carbonyl group
- Hydrocarbon derivative
- Organonitrogen compound
- Alcohol
- Primary alcohol
- Primary amine
- Aliphatic heteromonocyclic compound
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| Molecular Framework | Aliphatic heteromonocyclic compounds |
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| External Descriptors | Not Available |
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| Physico-Chemical Properties - Experimental |
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| Property | Value | Reference |
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| Experimental logP | Not Available | |
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| Experimental Water Solubility | Not Available | |
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| Melting Point | Not Available | |
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| Foods of Origin |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Production Data |
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| Production Method | commercial |
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| Production Method Reference | Not Available |
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| Production Method Reference File | Not Available |
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| Quantity Available | Production upon request, up to 5 mg |
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| Delivery Time | Not Available |
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| Storage Form | solid |
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| Storage Conditions | -80°C |
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| Stability | Not Available |
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| Purity | Not Available |
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| Spectra |
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| Spectral Data Upon Request | Not Available |
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| Provider Information |
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| Commercial Vendors |
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| AKSci | V0252 |
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| Toronto Research Chemicals | M800000 |
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