| Record Information |
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| Version | 1.0 |
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| Creation Date | 2020-03-10 17:03:08 UTC |
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| Update Date | 2020-05-11 20:27:54 UTC |
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| BMDB ID | BMDB0096218 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | 10-Hydroxy-octadec-12Z-enoate-9-beta-D-glucuronide |
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| Description | 10-Hydroxy-octadec-12Z-enoate-9-beta-D-glucuronide belongs to the class of organic compounds known as saccharolipids. Saccharolipids are compounds in which fatty acids are linked directly to a sugar backbone, forming structures that are compatible with membrane bilayers. In the saccharolipids, a sugar substitutes for the glycerol backbone that is present in glycerolipids and glycerophospholipids. The most familiar saccharolipids contain an acylated glucosamine. In contrast to others glycolipids, the fatty acid is not glycosidically linked to the sugar moiety. 10-Hydroxy-octadec-12Z-enoate-9-beta-D-glucuronide 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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| 10-Hydroxy-octadec-12Z-enoate-9-b-D-glucuronide | Generator | | 10-Hydroxy-octadec-12Z-enoate-9-β-D-glucuronide | Generator | | 10-Hydroxy-octadec-12Z-enoic acid-9-b-D-glucuronide | Generator | | 10-Hydroxy-octadec-12Z-enoic acid-9-beta-D-glucuronide | Generator | | 10-Hydroxy-octadec-12Z-enoic acid-9-β-D-glucuronide | Generator |
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| Chemical Formula | C24H42O10 |
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| Average Molecular Weight | 490.5843 |
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| Monoisotopic Molecular Weight | 490.277797564 |
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| IUPAC Name | (2R,3S,4R,5R,6R)-6-{[(8R,9R,11Z)-1-carboxy-9-hydroxyheptadec-11-en-8-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid |
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| Traditional Name | (2R,3S,4R,5R,6R)-6-{[(8R,9R,11Z)-1-carboxy-9-hydroxyheptadec-11-en-8-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid |
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| CAS Registry Number | Not Available |
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| SMILES | CCCCC\C=C/C[C@@H](O)[C@@H](CCCCCCCC(O)=O)O[C@@H]1O[C@H]([C@@H](O)[C@@H](O)[C@H]1O)C(O)=O |
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| InChI Identifier | InChI=1S/C24H42O10/c1-2-3-4-5-7-10-13-16(25)17(14-11-8-6-9-12-15-18(26)27)33-24-21(30)19(28)20(29)22(34-24)23(31)32/h7,10,16-17,19-22,24-25,28-30H,2-6,8-9,11-15H2,1H3,(H,26,27)(H,31,32)/b10-7-/t16-,17-,19-,20+,21-,22-,24-/m1/s1 |
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| InChI Key | IRADJQUIAYBZPY-WKVBQAANSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as saccharolipids. Saccharolipids are compounds in which fatty acids are linked directly to a sugar backbone, forming structures that are compatible with membrane bilayers. In the saccharolipids, a sugar substitutes for the glycerol backbone that is present in glycerolipids and glycerophospholipids. The most familiar saccharolipids contain an acylated glucosamine. In contrast to others glycolipids, the fatty acid is not glycosidically linked to the sugar moiety. |
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| Kingdom | Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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| Class | Saccharolipids |
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| Sub Class | Not Available |
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| Direct Parent | Saccharolipids |
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| Alternative Parents | |
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| Substituents | - Saccharolipid
- Long-chain fatty acid
- 1-o-glucuronide
- O-glucuronide
- Glucuronic acid or derivatives
- Hexose monosaccharide
- Glycosyl compound
- O-glycosyl compound
- Beta-hydroxy acid
- Heterocyclic fatty acid
- Hydroxy fatty acid
- Fatty acyl
- Fatty acid
- Unsaturated fatty acid
- Pyran
- Dicarboxylic acid or derivatives
- Oxane
- Monosaccharide
- Hydroxy acid
- Secondary alcohol
- Oxacycle
- Organoheterocyclic compound
- Carboxylic acid derivative
- Carboxylic acid
- Polyol
- Acetal
- Alcohol
- Carbonyl group
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen 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 | 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 | |
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