trans-2-Octadecenoic acid - ≥95% , CAS No.2825-79-8

CAS: 2825-79-8 Cat. No.: T350160 Molecular Weight: 282.46 PubChem CID: 5282750

GRADE & PURITY ≥95%

Synonyms

18:1 (n-16), trans | CHEBI:50572 | C18:1 (n-16), trans | starbld0007012 | NSC931 | Octadecenoic acid, (E)- | SCHEMBL41749 | octadec-2-enoic acid | trans-Heptadecen-(1)-carbonsaeure | (E)-octadec-2-enoic acid | C18:1n-16 | trans-2-octadecenoic acid | 2Z-oc

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

18:1 (n-16), trans | CHEBI:50572 | C18:1 (n-16), trans | starbld0007012 | NSC931 | Octadecenoic acid, (E)- | SCHEMBL41749 | octadec-2-enoic acid | trans-Heptadecen-(1)-carbonsaeure | (E)-octadec-2-enoic acid | C18:1n-16 | trans-2-octadecenoic acid | 2Z-oc

Specifications & Purity

≥95%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504763449
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763449
• Canonical Smiles: CCCCCCCCCCCCCCCC=CC(=O)O
• IUPAC Name: (E)-octadec-2-enoic acid
• InChIKey: LKOVPWSSZFDYPG-WUKNDPDISA-N
• INCHI: 1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h16-17H,2-15H2,1H3,(H,19,20)/b17-16+
• Isomeric SMILES: CCCCCCCCCCCCCCC/C=C/C(=O)O
• PubChem CID: 5282750
• Molecular Weight: 282.46

Taxonomic Classification

Taxonomy Tree

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

• 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: Unsaturated fatty acids 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 - Unsaturated 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
• 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: Unsaturated 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

Associated Targets(Human)

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 282.500 g/mol
• XLogP3: 8.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 15
• Exact Mass: 282.256 Da
• Monoisotopic Mass: 282.256 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 234.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

References

1. Shuai Xiao, Hai-ou Li, Meng-wei Xu, Ke Huang, Zhou-fei Luo, Lang-tao Xiao.  (2021)  A high-throughput method for profiling fatty acids in plant seeds based on one-step acid-catalyzed methylation followed by gas chromatography-mass spectrometry.  BIOTECHNOLOGY & BIOTECHNOLOGICAL EQUIPMENT,      [PMID:] [10.1080/13102818.2021.1954552]

2. Jia Jingchun, Hu Xiang, Wen Zhenhai.  (2017)  Robust 3D network architectures of MnO nanoparticles bridged by ultrathin graphitic carbon for high-performance lithium-ion battery anodes.  Nano Research,  11  (2): (1135-1145).  [PMID:] [10.1007/s12274-017-1732-y]