Methyl palmitate - 10mM in DMSO , CAS No.112-39-0

CAS: 112-39-0 Cat. No.: M420647 分子式: C₁₇H₃₄O₂ 分子量: 270.45 Beilstein Registry Number: 1780973 EC番号: 203-966-3

GRADE & PURITY 10mM in DMSO

Synonyms

DTXSID4029149 | Methyl palmitic acid | P0006 | Palmitic acid methyl ester | 844D5088-5CCF-4B2D-A678-EA5A7E8CB149 | Metholene 2216 | NSC 4197 | CAS-112-39-0 | C16 FAME | S0311 | s9383 | UNII-DPY8VCM98I | AKOS005715213 | HY-N1482 | METHYL PALMITATE [HSDB] |

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

同義語

DTXSID4029149 | Methyl palmitic acid | P0006 | Palmitic acid methyl ester | 844D5088-5CCF-4B2D-A678-EA5A7E8CB149 | Metholene 2216 | NSC 4197 | CAS-112-39-0 | C16 FAME | S0311 | s9383 | UNII-DPY8VCM98I | AKOS005715213 | HY-N1482 | METHYL PALMITATE [HSDB] |

仕様と純度

10mM in DMSO

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

名前と識別子

パブケム・シド

528772253

カノニカル・スマイル

CCCCCCCCCCCCCCCC(=O)OC

IUPAC Name

methyl hexadecanoate

InChIKey

FLIACVVOZYBSBS-UHFFFAOYSA-N

INCHI

1S/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h3-16H2,1-2H3

異性体SMILES

CCCCCCCCCCCCCCCC(=O)OC

WGKドイツ

1

分子量

270.45

Beilstein

1780973

Reaxy-Rn

1780973

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1780973&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 分類 Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid methyl esters
• Alternative Parents: Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid methyl ester - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as fatty acid methyl esters. These are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl group.
• External Descriptors: Wax monoesters

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

関連ターゲット（人間）

CNR1 Tclin Cannabinoid CB1 receptor (20913 Activities)

Discover Target: CNR1

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

CNR2 Tchem Cannabinoid CB2 receptor (16942 Activities)

Discover Target: CNR2

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

PSMB2 Tclin Proteasome Macropain subunit (1025 Activities)

Discover Target: PSMB2

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

関連ターゲット（非人間）

Faah Anandamide amidohydrolase (3907 Activities)

Discover Target: Faah

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

PRE2 Proteasome Macropain subunit PRE2 (43 Activities)

Discover Target: PRE2

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

PRE7 Proteasome component C5 (37 Activities)

Discover Target: PRE7

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

作用メカニズム

化学的性質と物理的性質

• 屈折率: 1.4512
• 引火点（°F）: 235.4 °F
• 引火点（°C）: >110℃
• 沸点（°C）: 185°C
• 融点（°C）: 28°C
• 分子量: 270.500 g/mol
• XLogP3: 7.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 15
• Exact Mass: 270.256 Da
• Monoisotopic Mass: 270.256 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 190.000
• 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