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Basic Description
| Synonyms | HY-W018161 | RF8 | SCHEMBL36069 | Thapsate | AS-11659 | Hexadecane-1,16-dioic acid | HEXADECANEDIOICACID | Thapsic acid | FT-0601008 | C19615 | CHEBI:73722 | MEGxp0_000578 | SY047592 | LMFA01170022 | a,w-Tetradecanedicarboxylic acid | NSC 15164 | H0293 | |
|---|---|
| Specifications & Purity | for synthesis |
| Storage Temp | Room temperature |
| Shipped In | Normal |
| Grade | for synthesis |
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 | Dicarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Long-chain fatty acid - Dicarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - 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 | Dicarboxylic acids |
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Associated Targets(Human)
CRABP2
Tchem
Cellular retinoic acid-binding protein II (10 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 | hexadecanedioic acid |
|---|---|
| INCHI | InChI=1S/C16H30O4/c17-15(18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(19)20/h1-14H2,(H,17,18)(H,19,20) |
| InChIKey | QQHJDPROMQRDLA-UHFFFAOYSA-N |
| Smiles | C(CCCCCCCC(=O)O)CCCCCCC(=O)O |
| Isomeric SMILES | C(CCCCCCCC(=O)O)CCCCCCC(=O)O |
| WGK Germany | 3 |
| Molecular Weight | 286.41 |
| Beilstein | 2733 |
| Reaxy-Rn | 1792831 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1792831&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Melt Point(°C) | 124°C-128°C |
|---|---|
| Molecular Weight | 286.410 g/mol |
| XLogP3 | 5.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 15 |
| Exact Mass | 286.214 Da |
| Monoisotopic Mass | 286.214 Da |
| Topological Polar Surface Area | 74.600 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 225.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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 |
Citations of This Product
| 1. Liu Fang, Zou Lingyun, Chen Yongcheng, Liu Zuolong, Huang Yue, Jin Qiao, Ji Jian. (2024) A polymyxin B loaded hypoxia-responsive liposome with improved biosafety for efficient eradication of bacterial biofilms. Nano Research, (1-12). |
| 2. Yaqiao Li, Lingxiao Li, Yanzhong Hao, Jingxuan Zhang, Cuiyun Liu, Erwei Zhao, XianBao Shi, Xiaohui Pu, Jin Sun, Zhonggui He, Bingjun Sun. (2024) Optimizing structural design in SN38 delivery: More assembly stability and activation efficiency. Nano Today, 58 (102450). |
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