올레산 칼륨 - CP , CAS No.143-18-0

CAS: 143-18-0 Cat. No.: P100097 분자식: CH₃(CH₂)₇CH=CH(CH₂)₇COOK 분자량: 320.55 Beilstein Registry Number: 4167152 EC 번호: 205-590-5

등급 & 순도 CP

Synonyms

O0056 | 포타슘 올레에이트 [MI] | 9-옥타데세노산 (Z)-, 칼륨 염 | 올레산 칼륨 염 | EINECS 205-590-5 | C18H33KO2 | 트레나민 D-201 | HSDB 5643 | 포타슘 CIS-9-옥타데세노산 | DTXSID0025949 | EPA 농약 화학물질 코드 079095 | in

Storage

Room temperature

Shipped In

보통

사양

동의어

O0056 | 포타슘 올레에이트 [MI] | 9-옥타데세노산 (Z)-, 칼륨 염 | 올레산 칼륨 염 | EINECS 205-590-5 | C18H33KO2 | 트레나민 D-201 | HSDB 5643 | 포타슘 CIS-9-옥타데세노산 | DTXSID0025949 | EPA 농약 화학물질 코드 079095 | in

사양 및 순도

CP

보관 조건

Room temperature

배송

보통

등급

CP

이름과 식별자

Pubchem Sid

488200409

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488200409

정식 스마일

CCCCCCCCC=CCCCCCCCC(=O)[O-].[K+]

IUPAC Name

potassium;(Z)-octadec-9-enoate

InChIKey

MLICVSDCCDDWMD-KVVVOXFISA-M

INCHI

1S/C18H34O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h9-10H,2-8,11-17H2,1H3,(H,19,20);/q;+1/p-1/b10-9-;

이성체 SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[K+]

RTECS

RK1150000

분자량

320.55

Beilstein

4167152

Reaxy-Rn

27800672

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27800672&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: Unsaturated fatty acids Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organic potassium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Long-chain fatty acid - Unsaturated fatty acid - Carboxylic acid salt - Organic alkali metal salt - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic potassium salt - Organic salt - 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: Not available

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

관련 대상(인간)

FABP3 Tchem Fatty acid-binding protein, heart (1 Activities)

Discover Target: FABP3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in water, ethanol, alcohol
• 감도: Moisture sensitive.
• 발화점(°C): 140°C
• 분자량: 320.600 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 15
• Exact Mass: 320.212 Da
• Monoisotopic Mass: 320.212 Da
• Topological Polar Surface Area: 40.100 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 239.000
• 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: 2

XLogP3