13-Methyltetradecanoic acid - ≥98% , CAS No.2485-71-4

CAS: 2485-71-4 Cat. No.: M276511 Molecular Weight: 242.4 EC Number: 636-731-2

GRADE & PURITY ≥98%

Synonyms

i-C15:0 | SCHEMBL366393 | LMFA01020009 | Tetradecanoic acid, 13-methyl- | 13-Methylmyristic acid, >=98% (capillary GC) | 13-METHYLTETRADECANOICACID | FT-0689926 | J-015704 | 13-Methyltetradecanoic acid | 13-methyl-tetradecanoic acid | 13-Methyl-tetradecan

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

13-methyl Myristic acid is a methylated fatty acid that has been found in dairy ewe rumen liquor, bovine milk, goat milk fat, the edible flesh of rainbow trout (O. mykiss), and Flavobacterium. 13-methyl Myristic acid is also found in arable soil, and its levels decrease in response to contamination with the heavy metals cadmium, copper, nickel, and lead.

Specifications

Synonyms

i-C15:0 | SCHEMBL366393 | LMFA01020009 | Tetradecanoic acid, 13-methyl- | 13-Methylmyristic acid, >=98% (capillary GC) | 13-METHYLTETRADECANOICACID | FT-0689926 | J-015704 | 13-Methyltetradecanoic acid | 13-methyl-tetradecanoic acid | 13-Methyl-tetradecan

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

iso C15 Fatty acid. Antitumor agent (ID 50 = 10-25 µg/ml). Induces mitochondrial-mediated apoptosis via Akt and MAPK and biosynthesis of methyl-branched polyhydroxyalkanoates. Active in vitro and in vivo .

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

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

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC(C)CCCCCCCCCCCC(=O)O
• IUPAC Name: 13-methyltetradecanoic acid
• InChIKey: ZOCYQVNGROEVLU-UHFFFAOYSA-N
• INCHI: 1S/C15H30O2/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15(16)17/h14H,3-13H2,1-2H3,(H,16,17)
• Isomeric SMILES: CC(C)CCCCCCCCCCCC(=O)O
• Molecular Weight: 242.4
• Reaxy-Rn: 1773830
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1773830&ln=

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: Branched fatty acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Long-chain fatty acid - Branched 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: Branched 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Chloroform: Soluble；Ethanol: Soluble；Ether: Soluble
• Molecular Weight: 242.400 g/mol
• XLogP3: 5.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 12
• Exact Mass: 242.225 Da
• Monoisotopic Mass: 242.225 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 176.000
• 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