N-hexanoil-D-eritroesfinganina - ≥99% , CAS No.171039-13-7

CAS: 171039-13-7 Cat. No.: N130692 Peso molecular: 399.651

GRADE & PURITY ≥99%

Synonyms

SCHEMBL6236415 | C6 dihidroceramida (d18:0/6:0) | N-hexanoildihidroesfingosina | C6 dihidroceramida | BP-28808 | MFCD01320384 | (2S,3R)-dihidroceramida | N-hexanoil-esfinganina | N-hexanoil-esfinganina | Q27145820 | C6-dihidroceramida | CHEBI:76226 | C6 D

Storage

Conservar a -20°C

Shipped In

Hielera + almohadillas de hielo

Specifications

Sinónimos

SCHEMBL6236415 | C6 dihidroceramida (d18:0/6:0) | N-hexanoildihidroesfingosina | C6 dihidroceramida | BP-28808 | MFCD01320384 | (2S, 3R)-dihidroceramida | N-hexanoil-esfinganina | N-hexanoil-esfinganina | Q27145820 | C6-dihidroceramida | CHEBI:76226 | C6 D

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Conservar a -20°C

Enviado en

Hielera + almohadillas de hielo

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 504768388
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768388
• Sonrisas canónicas: CCCCCCCCCCCCCCCC(C(CO)NC(=O)CCCCC)O
• IUPAC Name: N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]hexanamide
• InChIKey: VUMHYWBWYSPQMM-XZOQPEGZSA-N
• INCHI: 1S/C24H49NO3/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-19-23(27)22(21-26)25-24(28)20-17-6-4-2/h22-23,26-27H,3-21H2,1-2H3,(H,25,28)/t22-,23+/m0/s1
• Isómeros SMILES: CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)CCCCC)O
• Peso molecular: 399.651
• Reaxy-Rn: 13935999
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13935999&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Sphingolipids
      • Subclass Ceramides

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Sphingolipids
• Subclass: Ceramides
• Intermediate Tree Nodes: Not available
• Direct Parent: Ceramides
• Alternative Parents: N-acyl amines Secondary carboxylic acid amides Secondary alcohols Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Ceramide - Fatty amide - N-acyl-amine - Fatty acyl - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Carboxylic acid derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Alcohol - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as ceramides. These are lipid molecules containing a sphingosine in which the amine group is linked to a fatty acid.
• External Descriptors: dihydroceramide

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

Objetivos asociados (humanos)

MCF7 (126967 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 399.700 g/mol
• XLogP3: 8.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 21
• Exact Mass: 399.371 Da
• Monoisotopic Mass: 399.371 Da
• Topological Polar Surface Area: 69.600 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 336.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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