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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 | PAMDB120121 |
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Identification |
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| Name: |
chitotriose |
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| Description: | A linear amino trisaccharide consisting of three N-acetyl-β-D-glucosamine residues linked (1→4). |
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Structure |
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| Synonyms: | - (β)-N,N',N''-triacetyl chitotriose
- β-
 D-GlcNAc-(1→4)-β-D-GlcNAc-(1→4)-β-D-GlcNAc - β-N,N',N''-triacetylchitotriose
- GlcNAcb1-4GlcNAcb1-4GlcNAcb
- GlcNAcβ1-4GlcNAcβ1-4GlcNAcβ
- N,N',N''-triacetyl chitotriose β-anomer
- N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-β-D-glucosamine
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Chemical Formula: |
C24H41N3O16 |
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| Average Molecular Weight: |
627.598 |
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| Monoisotopic Molecular
Weight: |
627.24866 |
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| InChI Key: |
WZZVUHWLNMNWLW-MEWKLCDLSA-N |
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| InChI: | InChI=1S/C24H41N3O16/c1-7(31)25-13-18(36)20(11(5-29)39-22(13)38)42-24-15(27-9(3)33)19(37)21(12(6-30)41-24)43-23-14(26-8(2)32)17(35)16(34)10(4-28)40-23/h10-24,28-30,34-38H,4-6H2,1-3H3,(H,25,31)(H,26,32)(H,27,33)/t10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22?,23+,24+/m1/s1 |
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| CAS
number: |
Not Available |
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| IUPAC Name: | 2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranose |
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Traditional IUPAC Name: |
Not Available |
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| SMILES: | CC(=O)NC1(C(O)OC(CO)C(C(O)1)OC2(C(NC(C)=O)C(O)C(C(CO)O2)OC3(OC(C(O)C(O)C(NC(C)=O)3)CO))) |
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Chemical Taxonomy |
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Taxonomy Description | This compound 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 |
- Oligosaccharide
- Acylaminosugar
- N-acyl-alpha-hexosamine
- Glycosyl compound
- O-glycosyl compound
- Oxane
- Acetamide
- Carboxamide group
- Hemiacetal
- Secondary carboxylic acid amide
- Secondary alcohol
- Acetal
- Carboxylic acid derivative
- Oxacycle
- Organoheterocyclic compound
- Hydrocarbon derivative
- Organic oxide
- Organic nitrogen compound
- Organopnictogen compound
- Carbonyl group
- Alcohol
- Primary alcohol
- Organonitrogen compound
- Aliphatic heteromonocyclic compound
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| Molecular Framework |
Aliphatic heteromonocyclic compounds |
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| External Descriptors |
- a chitodextrin (CPD-13227)
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Physical Properties |
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| State: |
Not Available |
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| Charge: | 0 |
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Melting point: |
Not Available |
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| Experimental Properties: |
Not Available |
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| Predicted Properties |
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Biological Properties |
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| Cellular Locations: |
Not Available |
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| Reactions: | |
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Pathways: |
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Spectra |
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| Spectra: |
Not Available |
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References |
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| References: |
- von Gunten S, Smith DF, Cummings RD, Riedel S, Miescher S, Schaub A, Hamilton RG, Bochner BS (2009)Intravenous immunoglobulin contains a broad repertoire of anticarbohydrate antibodies that is not restricted to the IgG2 subclass. The Journal of allergy and clinical immunology 123, Pubmed: 19443021
- Schneider C, Smith DF, Cummings RD, Boligan KF, Hamilton RG, Bochner BS, Miescher S, Simon HU, Pashov A, Vassilev T, von Gunten S (2015)The human IgG anti-carbohydrate repertoire exhibits a universal architecture and contains specificity for microbial attachment sites. Science translational medicine 7, Pubmed: 25568069
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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: |
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