Record Information |
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Version | 5.0 |
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Status | Detected but not Quantified |
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Creation Date | 2022-09-09 20:33:54 UTC |
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Update Date | 2022-09-22 18:34:49 UTC |
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HMDB ID | HMDB0341344 |
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Secondary Accession Numbers | None |
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Metabolite Identification |
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Common Name | N-Acetyl-D-lactosamine |
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Description | N-Acetyl-D-lactosamine, also known as beta-D-gal-(1->4)-D-glcnac or gal-beta1,4-glcnac, 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. Based on a literature review a significant number of articles have been published on N-Acetyl-D-lactosamine. |
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Structure | [H]C1(O)O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])N=C(C)O InChI=1S/C14H25NO11/c1-4(18)15-7-9(20)12(6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8+,9-,10+,11-,12-,13?,14+/m1/s1 |
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Synonyms | Value | Source |
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2-Acetamido-2-deoxy-4-O-beta-D-galactopyranosyl-D-glucopyranose | ChEBI | beta-D-Gal-(1->4)-D-glcnac | ChEBI | beta-D-Galactosyl-(1->4)-N-acetyl-D-glucosamine | ChEBI | beta-Gal-(1->4)-glcnac | ChEBI | beta-Gal1,4-glcnac | ChEBI | Gal-beta1,4-glcnac | ChEBI | LacNAc | ChEBI | WURCS=2.0/2,2,1/[a2122h-1x_1-5_2*ncc/3=o][a2112h-1b_1-5]/1-2/a4-b1 | ChEBI | 2-Acetamido-2-deoxy-4-O-b-D-galactopyranosyl-D-glucopyranose | Generator | 2-Acetamido-2-deoxy-4-O-β-D-galactopyranosyl-D-glucopyranose | Generator | b-D-Gal-(1->4)-D-glcnac | Generator | Β-D-gal-(1->4)-D-glcnac | Generator | b-D-Galactosyl-(1->4)-N-acetyl-D-glucosamine | Generator | Β-D-galactosyl-(1->4)-N-acetyl-D-glucosamine | Generator | b-Gal-(1->4)-glcnac | Generator | Β-gal-(1->4)-glcnac | Generator | b-Gal1,4-glcnac | Generator | Β-gal1,4-glcnac | Generator | Gal-b1,4-glcnac | Generator | Gal-β1,4-glcnac | Generator | ACETYL lactosamine | MeSH | N-Acetyllactosamine | MeSH |
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Chemical Formula | C14H25NO11 |
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Average Molecular Weight | 383.35 |
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Monoisotopic Molecular Weight | 383.142760629 |
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IUPAC Name | N-[(3R,4R,5S,6R)-2,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]ethanimidic acid |
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Traditional Name | N-[(3R,4R,5S,6R)-2,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]ethanimidic acid |
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CAS Registry Number | Not Available |
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SMILES | [H]C1(O)O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])N=C(C)O |
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InChI Identifier | InChI=1S/C14H25NO11/c1-4(18)15-7-9(20)12(6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8+,9-,10+,11-,12-,13?,14+/m1/s1 |
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InChI Key | KFEUJDWYNGMDBV-RPHKZZMBSA-N |
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Chemical Taxonomy |
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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
- N-acyl-alpha-hexosamine
- Disaccharide
- Glycosyl compound
- O-glycosyl compound
- Oxane
- Acetamide
- Carboxamide group
- Hemiacetal
- Secondary carboxylic acid amide
- Secondary alcohol
- Acetal
- Carboxylic acid derivative
- Oxacycle
- Organoheterocyclic compound
- Polyol
- Hydrocarbon derivative
- Organic oxide
- Organic nitrogen compound
- Organopnictogen compound
- Alcohol
- Primary alcohol
- 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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Not Available | Not Available |
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Physical Properties |
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State | Not Available |
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Experimental Molecular Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | |
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Predicted Chromatographic Properties | Predicted Kovats Retention IndicesNot Available |
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