Tridecanoic acid - 10mM in DMSO , CAS No.638-53-9

CAS: 638-53-9 Cat. No.: T425241 分子式: C₁₃H₂₆O₂ 分子量: 214.34 Beilstein Registry Number: 508317 EC番号: 211-341-1 PubChem CID: 12530

GRADE & PURITY 10mM in DMSO

Synonyms

MFCD00002741 | H10745 | NSC 69131; Tridecylic acid; n-Tridecanoic acid; n-Tridecoic acid | Q419857 | NCIOpen2_003250 | AMY5937 | AS-56729 | BDBM50511038 | BRN 0508317 | Tridecanoic acid, technical grade, 90% | HY-Y1718 | NSC69131 | NSC-69131 | Tridecanoic

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

概要

product description：

Tridecanoic acid is an aliphatic monoacid. It is complexed to β-cyclodextrin (β-CD) for structural studies. It can exist in three polymeric forms(A′, B′ and C′) when crystallized.

application：

Tridecanoic acid has been used as an internal standard for the lipid analysis of total intramuscular fat from broilers and fatty acid analysis in chinook salmon roe lipids. It has also been used as a reference standard in gas chromatography for quantifying fatty acids in meat samples.

Specifications

同義語

MFCD00002741 | H10745 | NSC 69131; Tridecylic acid; n-Tridecanoic acid; n-Tridecoic acid | Q419857 | NCIOpen2_003250 | AMY5937 | AS-56729 | BDBM50511038 | BRN 0508317 | Tridecanoic acid, technical grade, 90% | HY-Y1718 | NSC69131 | NSC-69131 | Tridecanoic

仕様と純度

10mM in DMSO

生化学的・生理学的メカニズム

Phospholipase A2 substrate. 13-carbon saturated fatty acid. Product of anaerobic biodegradation of n-hexadecane.

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

名前と識別子

• パブケム・シド: 528770210
• カノニカル・スマイル: CCCCCCCCCCCCC(=O)O
• IUPAC Name: tridecanoic acid
• InChIKey: SZHOJFHSIKHZHA-UHFFFAOYSA-N
• INCHI: 1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15)
• 異性体SMILES: CCCCCCCCCCCCC(=O)O
• WGKドイツ: 3
• RTECS: YD3850000
• PubChem CID: 12530
• 分子量: 214.34
• Beilstein: 508317

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 分類 Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Long-chain fatty acids
• Alternative Parents: Straight chain fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Long-chain fatty acid - Straight chain fatty acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• 説明: 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: Straight chain fatty acids

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

関連ターゲット（非人間）

Bacillus subtilis (32866 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Bursaphelenchus xylophilus (372 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

作用メカニズム

化学的性質と物理的性質

• 引火点（°F）: 235.4 °F
• 引火点（°C）: 113 °C
• 沸点（°C）: 236°C
• 融点（°C）: 41-42°C
• 分子量: 214.340 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 11
• Exact Mass: 214.193 Da
• Monoisotopic Mass: 214.193 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 143.000
• 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

参考文献

1. Shuiping Tang, Xiaohuan Qin, Yuanxia Lv, Kun Hu, Shulin Zhao.  (2022)  Adsorption of three perfluoroalkyl sulfonate compounds from environmental water and human serum samples using cationic porous covalent organic framework as adsorbents and detection combination with MALDI-TOF MS.  APPLIED SURFACE SCIENCE,      [PMID:] [10.1016/j.apsusc.2022.154224]

2. Yuan Zheng, Zhuoru He, Yu Kong, Xinjie Huang, Wei Zhu, Zhongqiu Liu, Lingzhi Gong.  (2021)  Combined Metabolomics with Transcriptomics Reveals Important Serum Biomarkers Correlated with Lung Cancer Proliferation through a Calcium Signaling Pathway.  JOURNAL OF PROTEOME RESEARCH,      [PMID:34056907] [10.1021/acs.jproteome.0c01019]

3. Zhuoru He, Zhongqiu Liu, Lingzhi Gong.  (2021)  Biomarker identification and pathway analysis of rheumatoid arthritis based on metabolomics in combination with ingenuity pathway analysis.  PROTEOMICS,      [PMID:33969925] [10.1002/pmic.202100037]

4. Minqi Chen, Zhongqiu Liu, Lingzhi Gong.  (2021)  Impact of sample containers on gas chromatography mass spectrometry based plasma untargeted and targeted metabolomics.  PROTEOMICS,  21  (10): (2000196).  [PMID:33739588] [10.1002/pmic.202000196]

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6. Shanshan Xie, Haoyu Zang, Huijun Wu, Faheem Uddin Rajer, Xuewen Gao.  (2016)  Antibacterial effects of volatiles produced by Bacillus strain D13 against Xanthomonas oryzae pv. oryzae.  MOLECULAR PLANT PATHOLOGY,  19  (1): (49-58).  [PMID:27682316] [10.1111/mpp.12494]

7. Hongxu Zhou, Qing Jiang, Xin He, Xian Fu, Jun-Yan Liu.  (2024)  A complementary method with PFBBr-derivatization based on GC-EI-MS platform for the simultaneous quantitation of short-, medium- and long -chain fatty acids in murine plasma and feces samples.  Analytical Methods,      [PMID:38562090] [10.1039/D3AY02271D]

8. Caiping Zhang, Yimin Zhang, Binjie Liu, Yongxv Chen, Yue Xie, Huiting Huang, Zhongqiu Liu, Zhuoru He.  (2024)  Proteome and Metabolome Profiling of Anticoagulant Disorders Induced by Familial Protein S Deficiency.  JOURNAL OF PROTEOME RESEARCH,      [PMID:39265992] [10.1021/acs.jproteome.4c00399]

9. Zhilin Zhang, Chengmei Liu, Tingting Chen, Fulin Liu, Shunjing Luo, Jiangping Ye.  (2025)  Microorganisms and characteristic volatile flavor compounds in Luocheng fermented rice noodles.  FOOD CHEMISTRY,      [PMID:40554279] [10.1016/j.foodchem.2025.145133]