Tridecanoic acid - analytical standard , CAS No.638-53-9

CAS: 638-53-9 Cat. No.: T114032 분자식: C₁₃H₂₆O₂ 분자량: 214.34 Beilstein Registry Number: 508317 EC 번호: 211-341-1 PubChem CID: 12530

GRADE & PURITY Analytical standard

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

Room temperature

Shipped In

Normal

Application

Drug Delivery, Surface Modification, PEGylation of Protein, Peptide & Oligo

Specifications

동의어

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

사양 및 순도

analytical standard

보관 조건

Room temperature

배송

Normal

등급

분석 표준물질

작업 유형

INHIBITOR

이름과 식별자

• Pubchem Sid: 528770205
• 정식 스마일: 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)
• 이성체 SMILES: CCCCCCCCCCCCC(=O)O
• WGK 독일: 3
• RTECS: YD3850000
• PubChem CID: 12530
• 분자량: 214.34
• Beilstein: 508317

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: 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
• 설명: 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

관련 대상(비인간)

Bacillus subtilis (32866 Activities)

Explore this target

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

Bursaphelenchus xylophilus (372 Activities)

Explore this target

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

작용 메커니즘

화학 및 물리적 특성

• 감도: Heat sensitive
• 발화점(°F): 235.4 °F
• 발화점(°C): 113 °C
• 끓는점(°C): 236°C
• 녹는점(°C): 41-42°C
• 분자량: 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

참고 문헌

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]

5. Zhisheng Huang, Zhuoru He, Yu Kong, Zhongqiu Liu, Lingzhi Gong.  (2020)  Insight into osteoarthritis through integrative analysis of metabolomics and transcriptomics.  CLINICA CHIMICA ACTA,      [PMID:32653484] [10.1016/j.cca.2020.07.010]

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]