| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 23:23:57 UTC |
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| Update Date | 2020-04-22 15:18:02 UTC |
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| BMDB ID | BMDB0006599 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | 3-Galactosyllactose |
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| Description | 3-Galactosyllactose, also known as GAGGL, belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. 3-Galactosyllactose 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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| 3'-Galactosyllactose | MeSH | | Galactosyl beta (1-3)-galactosyl beta (1-4)glucose | MeSH | | Galactosyl alpha (1-3)-galactosyl beta (1-4)glucose | MeSH | | Gal(beta1-3)-gal(beta1-4)GLC | MeSH | | GAGGL | MeSH | | Gal(alphal-3)-gal(betal-4)GLC | MeSH |
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| Chemical Formula | C18H32O16 |
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| Average Molecular Weight | 504.4371 |
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| Monoisotopic Molecular Weight | 504.169034976 |
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| IUPAC Name | (2R,3R,4R,5R)-4-{[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2,3,5,6-tetrahydroxyhexanal |
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| Traditional Name | gaggl |
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| CAS Registry Number | 32694-82-9 |
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| SMILES | OC[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O)[C@H](O)[C@@H](O)C=O |
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| InChI Identifier | InChI=1S/C18H32O16/c19-1-5(23)9(25)15(6(24)2-20)33-18-14(30)16(11(27)8(4-22)32-18)34-17-13(29)12(28)10(26)7(3-21)31-17/h1,5-18,20-30H,2-4H2/t5-,6+,7+,8+,9+,10-,11-,12-,13+,14+,15+,16-,17-,18-/m0/s1 |
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| InChI Key | KZZUYHVLNLDKLB-KZCWKWOXSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. |
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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 | Oligosaccharides |
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| Alternative Parents | |
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| Substituents | - Oligosaccharide
- Fatty acyl glycoside
- Alkyl glycoside
- Glycosyl compound
- O-glycosyl compound
- Fatty alcohol
- Beta-hydroxy aldehyde
- Fatty acyl
- Oxane
- Alpha-hydroxyaldehyde
- Secondary alcohol
- Organoheterocyclic compound
- Oxacycle
- Acetal
- Polyol
- Aldehyde
- Alcohol
- Hydrocarbon derivative
- Carbonyl group
- Organic oxide
- Primary alcohol
- Aliphatic heteromonocyclic compound
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| Molecular Framework | Aliphatic heteromonocyclic compounds |
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| External Descriptors | Not Available |
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| Ontology |
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| Status | Expected but not Quantified |
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| Origin | |
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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 | Solid |
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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 | |
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| Synthesis Reference | Deya, Eiki; Amaya, Mieko; Nojiri, Kaoru; Igarashi, Seiichio. Application of galactosyllactose for infant formula. I. Preparation of galactosyllactose by b-galactosidase. Yukijirushi Nyugyo Gijutsu Kenkyusho Hokoku (1982), (78), 19-26. |
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