2-Aminohexadecanoic acid - ≥95% , CAS No.7769-79-1

CAS: 7769-79-1 Cat. No.: A477134 분자식: C₁₆H₃₃NO₂ 분자량: 271.45

GRADE & PURITY ≥95%

Synonyms

AS-58336 | AKOS015843158 | C16 lipoamino acid | 2-Aminoctanoic acid | C16 Laa | XELWBYCKQCNAGY-UHFFFAOYSA-N | A839163 | alpha-amino hexadecanoic acid | CHEBI:63776 | SCHEMBL1738925 | 2-Aminohexadecanoic acid | 2-amino-hexadecanoic acid | J-508045 | 2-Amin

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

동의어

AS-58336 | AKOS015843158 | C16 lipoamino acid | 2-Aminoctanoic acid | C16 Laa | XELWBYCKQCNAGY-UHFFFAOYSA-N | A839163 | alpha-amino hexadecanoic acid | CHEBI:63776 | SCHEMBL1738925 | 2-Aminohexadecanoic acid | 2-amino-hexadecanoic acid | J-508045 | 2-Amin

사양 및 순도

≥95%

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥95%

이름과 식별자

• Pubchem Sid: 504758643
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758643
• 정식 스마일: CCCCCCCCCCCCCCC(C(=O)O)N
• IUPAC Name: 2-aminohexadecanoic acid
• InChIKey: XELWBYCKQCNAGY-UHFFFAOYSA-N
• INCHI: 1S/C16H33NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15H,2-14,17H2,1H3,(H,18,19)
• 이성체 SMILES: CCCCCCCCCCCCCCC(C(=O)O)N
• 분자량: 271.45
• Reaxy-Rn: 1785113
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1785113&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: Alpha amino acids Amino fatty acids Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Long-chain fatty acid - Alpha-amino acid - Alpha-amino acid or derivatives - Amino fatty acid - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Primary aliphatic amine - Organooxygen compound - Primary amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Amine - Organic oxygen compound - 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: Amino 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

관련 대상(인간)

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

관련 대상(비인간)

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

작용 메커니즘

화학 및 물리적 특성

• 분자량: 271.440 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 14
• Exact Mass: 271.251 Da
• Monoisotopic Mass: 271.251 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 207.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1