Pentadecanoic Acid - Moligand™, ≥98% , CAS No.1002-84-2

CAS: 1002-84-2 Cat. No.: P118489 Summenformel: C₁₅H₃₀O₂ Molekulargewicht: 242.4 Beilstein Registry Number: 1773831 EG-Nummer: 213-693-1

GRADE & PURITY Moligand™, ≥98%

Synonyms

Pentadecanoic acid, >=99% | 9B1C70C0-EF6E-4FCF-A3D3-DACCDCCF791C | n-Pentadecanoicacid | P0035 | BRN 1773831 | C15:0 | H10804 | NCGC00258749-01 | UNII-CCW02D961F | BP-27916 | CHEBI:42504 | Pentadecylic acid | tetradecylcarboxylic acid | CCW02D961F | EINEC

Storage

Room temperature

Shipped In

Normal

Übersicht

A lipid used in proteomics research

Specifications

Synonyme

Pentadecanoic acid, >=99% | 9B1C70C0-EF6E-4FCF-A3D3-DACCDCCF791C | n-Pentadecanoicacid | P0035 | BRN 1773831 | C15:0 | H10804 | NCGC00258749-01 | UNII-CCW02D961F | BP-27916 | CHEBI:42504 | Pentadecylic acid | tetradecylcarboxylic acid | CCW02D961F | EINEC

Spezifikationen & Reinheit

Moligand™, ≥98%

Biochemische und physiologische Mechanismen

Saturated fatty acid. Biomarker for dietary milk intake. Can be labelled as a biomarker for myocardial fatty acid metabolism in ischemia/reperfusion studies. Energy source in vivo. Orally active.

Storage

Room temperature

Verschickt in

Normal

Note

Moligand™

Hinweis

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.

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504752496

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504752496

Kanonisches Lächeln

CCCCCCCCCCCCCCC(=O)O

IUPAC Name

pentadecanoic acid

InChIKey

WQEPLUUGTLDZJY-UHFFFAOYSA-N

INCHI

1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)

Isomere SMILES

CCCCCCCCCCCCCCC(=O)O

WGK Deutschland

3

RTECS

RZ1925000

Molekulargewicht

242.4

Beilstein

1773831

Reaxy-Rn

1773831

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1773831&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (menschlich)

CYP19A1 Tclin Cytochrome P450 19A1 (6099 Activities)

Discover Target: CYP19A1

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

PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

Discover Target: PTGS1

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in ethanol.
• Flammpunkt (°C): >113°C
• Siedepunkt (°C): 339 °C
• Schmelzpunkt (°C): 51-53°C
• Molekulargewicht: 242.400 g/mol
• XLogP3: 5.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 13
• 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: 166.000
• 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