| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 23:23:56 UTC |
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| Update Date | 2020-04-22 15:18:02 UTC |
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| BMDB ID | BMDB0006598 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Isoglobotriaose |
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| Description | Isoglobotriaose 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. Based on a literature review a significant number of articles have been published on Isoglobotriaose. |
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| Structure | |
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| Synonyms | | Value | Source |
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| alpha-D-Galp-(1-4)-beta-D-galp-(1-4)-D-GLC | HMDB | | alpha-delta-Galp-(1-4)-beta-delta-galp-(1-4)-delta-GLC | HMDB | | Globoisotriaose | HMDB | | Isoglobotriglycosylceramide | HMDB | | O-alpha-D-Galactopyranosyl-(1->3)-O-beta-D-galactopyranosyl-(1->4)- D-glucose | HMDB | | O-alpha-delta-Galactopyranosyl-(1->3)-O-beta-delta-galactopyranosyl-(1->4)- D-glucose | HMDB |
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| Chemical Formula | C19H34O15 |
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| Average Molecular Weight | 502.4643 |
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| Monoisotopic Molecular Weight | 502.189770418 |
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| IUPAC Name | (2R,3R,4R,5R)-4-{[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(1S,2R,3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}oxan-2-yl]oxy}-2,3,5,6-tetrahydroxyhexanal |
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| Traditional Name | isoglobotriaose |
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| CAS Registry Number | 41744-59-6 |
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| SMILES | [H][C@@](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@]2([H])C[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O)([C@H](O)CO)[C@H](O)[C@@H](O)C=O |
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| InChI Identifier | InChI=1S/C19H34O15/c20-2-6-1-9(13(28)15(30)11(6)26)32-18-14(29)10(5-23)33-19(16(18)31)34-17(8(25)4-22)12(27)7(24)3-21/h3,6-20,22-31H,1-2,4-5H2/t6-,7+,8-,9+,10-,11+,12-,13+,14+,15+,16-,17-,18+,19+/m1/s1 |
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| InChI Key | DRRWNKCTTZUPPM-FBSSLUAZSA-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
- Alkyl glycoside
- Disaccharide
- Glycosyl compound
- O-glycosyl compound
- Fatty alcohol
- Cyclohexanol
- Cyclitol or derivatives
- Beta-hydroxy aldehyde
- Oxane
- Cyclic alcohol
- Alpha-hydroxyaldehyde
- Secondary alcohol
- Polyol
- Ether
- Acetal
- Dialkyl ether
- Organoheterocyclic compound
- Oxacycle
- Primary alcohol
- Carbonyl group
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- Aldehyde
- Alcohol
- Organooxygen compound
- 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 | |
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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 | Sarkar, Arun K.; Matta, Khushi L. Synthetic studies in carbohydrates. LXXX. 2,3,4,6-Tetra-O-benzyl-b-D-galactopyranosyl phenyl sulfoxide as a glycosyl donor. Synthesis of some oligosaccharides containing an a-D-galactopyranosyl group. Carbohydrate Research (1992), 233 245-50. |
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