Nonadecanoic Acid - analytical standard , CAS No.646-30-0

CAS: 646-30-0 Cat. No.: N114400 분자식: C₁₉H₃₈O₂ 분자량: 298.5 Beilstein Registry Number: 1786261 EC 번호: 211-472-4

GRADE & PURITY Analytical standard

Synonyms

NSC 11914 | FA 19:0 | LMFA01010019 | Q412597 | A834837 | AI3-36442 | H6M3VYC62P | n-Nonadecanoic acid | DTXSID3060954 | 1219798-49-8 | UNII-H6M3VYC62P | FT-0659749 | MFCD00002754 | NSC 11914 | NSC11914 | NSC-11914 | 9-(2-CARBOXYPHENYL)-3,6-BIS(DIMETHYLAMI

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

NSC 11914 | FA 19:0 | LMFA01010019 | Q412597 | A834837 | AI3-36442 | H6M3VYC62P | n-Nonadecanoic acid | DTXSID3060954 | 1219798-49-8 | UNII-H6M3VYC62P | FT-0659749 | MFCD00002754 | NSC 11914 | NSC11914 | NSC-11914 | 9-(2-CARBOXYPHENYL)-3,6-BIS(DIMETHYLAMI

사양 및 순도

analytical standard

보관 조건

Room temperature

배송

Normal

등급

분석 표준물질

이름과 식별자

• Pubchem Sid: 528770217
• 정식 스마일: CCCCCCCCCCCCCCCCCCC(=O)O
• IUPAC Name: nonadecanoic acid
• InChIKey: ISYWECDDZWTKFF-UHFFFAOYSA-N
• INCHI: 1S/C19H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2-18H2,1H3,(H,20,21)
• 이성체 SMILES: CCCCCCCCCCCCCCCCCCC(=O)O
• WGK 독일: 3
• 분자량: 298.5
• Beilstein: 1786261
• Reaxy-Rn: 1786261
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1786261&ln=

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

작용 메커니즘

화학 및 물리적 특성

• 끓는점(°C): 238°C/10mmHg
• 녹는점(°C): 68-70°C
• 분자량: 298.500 g/mol
• XLogP3: 8.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 17
• Exact Mass: 298.287 Da
• Monoisotopic Mass: 298.287 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 214.000
• 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. Linlin Wang, Lilong Wang, Nan Wang, Chen Song, Chengrong Wen, Shuang Song.  (2023)  Effects of chitosan and its oligosaccharide on gut microbiota and metabolites disturbed by excessive protein consumption in vivo and in vitro.  Food Bioscience,      [PMID:] [10.1016/j.fbio.2023.103555]

2. Linlin Wang, Lilong Wang, Cui Cao, Jun Zhao, Chen Song, Zhijie Bao, Chunhong Yan, Shuang Song.  (2023)  Chitosan and its oligosaccharide accelerate colonic motility and reverse serum metabolites in rats after excessive protein consumption.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:37774814] [10.1016/j.ijbiomac.2023.127072]

3. Cui Cao, Linlin Wang, Chunqing Ai, Guiping Gong, Zhongfu Wang, Linjuan Huang, Shuang Song, Beiwei Zhu.  (2022)  Impact of Lycium barbarum arabinogalactan on the fecal metabolome in a DSS-induced chronic colitis mouse model.  Food & Function,  13  (16): (8703-8716).  [PMID:35912853] [10.1039/D2FO01283A]

4. Qiaoxian Huang, Jian Chen, Chunjiang Liu, Cheng Wang, Chenghui Shen, Yiyi Chen, Qingyong Li.  (2017)  Curcumin and its two analogues improve oxidative stability of fish oil under long-term storage.  EUROPEAN JOURNAL OF LIPID SCIENCE AND TECHNOLOGY,  119  (10): (1600105).  [PMID:] [10.1002/ejlt.201600105]

5. 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]

6. Yuanyuan Huang, Benjamin Kumah Mintah, Mokhtar Dabbour, Shuixin Liu, Tao Guo, Haining Xu, Chunhua Dai, Xiumin Chen, Haile Ma, Ronghai He.  (2024)  Comparative analysis of the nutritional composition and volatile compounds in male and female adults, nymphs, and molts of Eupolyphaga sinensis Walker.  JOURNAL OF FOOD SCIENCE,  89  (10): (6378-6393).  [PMID:39245923] [10.1111/1750-3841.17336]

7. Cui Cao, Yiping Gao, Feilong Sun, Chunqing Ai, Shuang Song.  (2024)  Lycium barbarum arabinogalactan inhibits Escherichia coli and improves Lactobacillus plantarum growth in a defined microbial model of human gut microbiome.  Food Bioscience,      [PMID:] [10.1016/j.fbio.2024.105168]