Monopalmitin - ≥95% , CAS No.542-44-9

CAS: 542-44-9 Cat. No.: P136376 Peso molecular: 330.51 Beilstein Registry Number: 2(4)1170 Número EC: 208-812-9 PubChem CID: 14900

GRADE & PURITY ≥95%

Synonyms

(+-)-palmitic acid alpha-monoglyceride | 1-Monopalmitin;Glyceryl palmitate ;1-Palmitoyl-rac-glycerol;1-Palmitoylglycerol | A870508 | FT-0673487 | Glycerides, C16-22 | 3-Palmitoyl-rac-glycerol | glycerol 1-monohexadecanoate | (+/-)-1-monopalmitin | 1-Monop

Storage

Room temperature

Shipped In

Normal

Descripción general

Monopalmitin is a glycerol esterified fatty acid, monoacylglycerol, found in lipid structures such as ceramides. Monopalmitin may be used as a substrate for the identification and differentiation of enzymes that hydrolyze or transfer monoacylglycerols such as neuropathy target esterase(s) and monoacylglycerol acyltransferase(s) (MAG).

Specifications

Sinónimos

(+-)-palmitic acid alpha-monoglyceride | 1-Monopalmitin;Glyceryl palmitate ;1-Palmitoyl-rac-glycerol;1-Palmitoylglycerol | A870508 | FT-0673487 | Glycerides, C16-22 | 3-Palmitoyl-rac-glycerol | glycerol 1-monohexadecanoate | (+/-)-1-monopalmitin | 1-Monop

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 488182040
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182040
• Sonrisas canónicas: CCCCCCCCCCCCCCCC(=O)OCC(CO)O
• IUPAC Name: 2,3-dihydroxypropyl hexadecanoate
• InChIKey: QHZLMUACJMDIAE-UHFFFAOYSA-N
• INCHI: 1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3
• Isómeros SMILES: CCCCCCCCCCCCCCCC(=O)OCC(CO)O
• WGK Alemania: 1
• CAS alternativo: 19670-51-0
• PubChem CID: 14900
• Peso molecular: 330.51
• Beilstein: 2(4)1170
• Reaxy-Rn: 1728235

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Glycerolipids
      • Subclass Monoradylglycerols
        • Level5 Monoacylglycerols
          • Level6 1-monoacylglycerols

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Glycerolipids
• Subclass: Monoradylglycerols
• Intermediate Tree Nodes: Monoacylglycerols
• Direct Parent: 1-monoacylglycerols
• Alternative Parents: Fatty acid esters Secondary alcohols Carboxylic acid esters 1,2-diols Monocarboxylic acids and derivatives Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 1-acyl-sn-glycerol - Fatty acid ester - Fatty acyl - 1,2-diol - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Primary alcohol - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Alcohol - Organic oxide - Organooxygen compound - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1-monoacylglycerols. These are monoacylglycerols containing a glycerol acylated at the 1-position.
• External Descriptors: a monoacylglycerol

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)

DLD-1 (17511 Activities)

Explore this target

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

NCI-N87 (850 Activities)

Explore this target

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

A2780 (11979 Activities)

Explore this target

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

Objetivos asociados (no humanos)

Ptpn1 Protein-tyrosine phosphatase 1B (270 Activities)

Discover Target: Ptpn1

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

Human immunodeficiency virus 1 (70413 Activities)

Explore this target

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

SARS-CoV-2 (38078 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

• Solubilidad: Soluble in Methanol
• Punto de fusión (°C): 75 °C
• Peso molecular: 330.500 g/mol
• XLogP3: 6.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 18
• Exact Mass: 330.277 Da
• Monoisotopic Mass: 330.277 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 256.000
• 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