| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-08-01 08:04:05 UTC |
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| Update Date | 2016-08-01 19:18:31 UTC |
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| Lmdb | LMDB00889 |
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| Secondary Accession Numbers | None |
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| Metabolite Identification |
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| Common Name | lactobionic acid |
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| Description | lactobionic acid, also known as lactobionate, belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. lactobionic acid is an extremely weak basic (essentially neutral) compound (based on its pKa). |
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| Structure | |
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| Synonyms | | Value | Source |
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| 4-(beta-D-Galactosido)-D-gluconic acid | ChEBI | | 4-(b-D-Galactosido)-D-gluconate | Generator | | 4-(b-D-Galactosido)-D-gluconic acid | Generator | | 4-(beta-D-Galactosido)-D-gluconate | Generator | | 4-(Β-D-galactosido)-D-gluconate | Generator | | 4-(Β-D-galactosido)-D-gluconic acid | Generator | | Lactobionate | Generator | | Lactobionic acid, monosodium salt | MeSH | | Copper lactobionate | MeSH | | Ferric lactobionate | MeSH | | Lactobionic acid, calcium salt (2:1) | MeSH | | Calcium lactobionate anhydrous | MeSH |
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| Chemical Formula | C12H22O12 |
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| Average Molecular Weight | 358.2959 |
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| Monoisotopic Molecular Weight | 358.111126168 |
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| IUPAC Name | (2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexanoic acid |
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| Traditional Name | lactobionic acid |
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| CAS Registry Number | Not Available |
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| SMILES | [H][C@@](O)(CO)[C@@]([H])(O[C@]1([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]1([H])O)[C@]([H])(O)[C@@]([H])(O)C(O)=O |
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| InChI Identifier | InChI=1S/C12H22O12/c13-1-3(15)10(7(18)8(19)11(21)22)24-12-9(20)6(17)5(16)4(2-14)23-12/h3-10,12-20H,1-2H2,(H,21,22)/t3-,4-,5+,6+,7-,8-,9-,10-,12+/m1/s1 |
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| InChI Key | JYTUSYBCFIZPBE-AMTLMPIISA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as fatty acyl glycosides of mono- and disaccharides. Fatty acyl glycosides of mono- and disaccharides are compounds composed of a mono- or disaccharide moiety linked to one hydroxyl group of a fatty alcohol or of a phosphorylated alcohol (phosphoprenols), a hydroxy fatty acid or to one carboxyl group of a fatty acid (ester linkage) or to an amino alcohol. |
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| Kingdom | Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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| Class | Fatty Acyls |
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| Sub Class | Fatty acyl glycosides |
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| Direct Parent | Fatty acyl glycosides of mono- and disaccharides |
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| Alternative Parents | |
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| Substituents | - Fatty acyl glycoside of mono- or disaccharide
- Gluconic_acid
- Disaccharide
- Glycosyl compound
- O-glycosyl compound
- Medium-chain hydroxy acid
- Medium-chain fatty acid
- Beta-hydroxy acid
- Heterocyclic fatty acid
- Hydroxy fatty acid
- Alpha-hydroxy acid
- Fatty acid
- Hydroxy acid
- Oxane
- Secondary alcohol
- Acetal
- Carboxylic acid derivative
- Carboxylic acid
- Oxacycle
- Organoheterocyclic compound
- Polyol
- Monocarboxylic acid or derivatives
- Hydrocarbon derivative
- Organic oxygen compound
- Organic oxide
- Primary alcohol
- Carbonyl group
- Organooxygen compound
- Alcohol
- 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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| Status | Detected but not Quantified |
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| Origin | Not Available |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Experimental 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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| Predicted Properties | |
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| Spectra |
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| Spectra | | Spectrum Type | Description | Splash Key | View |
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| GC-MS | GC-MS Spectrum - GC-MS (Non-derivatized) | splash10-0udi-1890000000-645bb4c3d6a8fc44f544 | Spectrum | | GC-MS | GC-MS Spectrum - GC-MS (Non-derivatized) | splash10-0uxr-0892000000-c66c29dec432a7455184 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-056v-2917000000-4e933c5c7b6c25a401a7 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-004i-4911000000-f68f6001947e4202da7d | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-01tc-9700000000-b54195b14fc0d950c065 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0pdi-8894000000-0439d1f5d23ddf1754e0 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004j-5941000000-b0255f1b4f6d310884fe | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-06tb-6900000000-a401822d28c812fbf31f | Spectrum |
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