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Basic Description
| Synonyms | Aleuritic acid | 533-87-9 | (9R,10S)-9,10,16-trihydroxyhexadecanoic acid | DL-erythro-Aleuritic acid | Hexadecanoic acid, 9,10,16-trihydroxy-, (9R,10S)-rel- | 8,9,15-Trihydroxypentadecane-1-carboxylic acid | CHEMBL4297023 | NSC7668 | 442LQ2K03A | NSC-7668 | ALEURITICACID | alp |
|---|---|
| Specifications & Purity | 10mM in DMSO |
| Storage Temp | Store at -80°C |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Lipids and lipid-like molecules
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Class
Fatty Acyls
- Subclass Fatty acids and conjugates
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Class
Fatty Acyls
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Superclass
Lipids and lipid-like molecules
| Kingdom | Organic compounds |
|---|---|
| Superclass | Lipids and lipid-like molecules |
| Class | Fatty Acyls |
| Subclass | Fatty acids and conjugates |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Long-chain fatty acids |
| Alternative Parents | Hydroxy fatty acids Secondary alcohols Polyols Monocarboxylic acids and derivatives Carboxylic acids Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Long-chain fatty acid - Hydroxy fatty acid - Secondary alcohol - Polyol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. |
| External Descriptors | Not available |
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Associated Targets(non-human)
Pseudomonas aeruginosa (123386 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Klebsiella pneumoniae (43867 Activities)
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Staphylococcus aureus (210822 Activities)
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Acinetobacter baumannii (41033 Activities)
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Escherichia coli (133304 Activities)
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Cryptococcus neoformans (21258 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Candida albicans (78123 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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SARS-CoV-2 (38078 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| IUPAC Name | (9R,10S)-9,10,16-trihydroxyhexadecanoic acid |
|---|---|
| INCHI | InChI=1S/C16H32O5/c17-13-9-5-4-7-11-15(19)14(18)10-6-2-1-3-8-12-16(20)21/h14-15,17-19H,1-13H2,(H,20,21)/t14-,15+/m1/s1 |
| InChIKey | MEHUJCGAYMDLEL-CABCVRRESA-N |
| Smiles | C(CCCC(C(CCCCCCO)O)O)CCCC(=O)O |
| Isomeric SMILES | C(CCC[C@H]([C@H](CCCCCCO)O)O)CCCC(=O)O |
| WGK Germany | 3 |
| RTECS | ML9850000 |
| Molecular Weight | 304.42 |
| Beilstein | 1727724 |
| Reaxy-Rn | 1793005 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1793005&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Sensitivity | heat sensitive |
|---|---|
| Melt Point(°C) | 100-101°C |
| Molecular Weight | 304.420 g/mol |
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 15 |
| Exact Mass | 304.225 Da |
| Monoisotopic Mass | 304.225 Da |
| Topological Polar Surface Area | 98.000 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 245.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Solution Calculators
Reviews
Customer Reviews
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