Atractyloside potassium salt - 10mM in DMSO , CAS No.102130-43-8

CAS: 102130-43-8 Cat. No.: A420374 Molecular Weight: 802.99 EC Number: 634-446-8 PubChem CID: 12299879

GRADE & PURITY 10mM in DMSO

Synonyms

Atractyloside potassium salt|102130-43-8|Atractyloside Dipotassium Salt|Dipotassium;[(2S,3R,4R,5R,6R)-2-[[(1R,4R,5R,7R,9R,10S,13R,15S)-5-carboxy-15-hydroxy-9-methyl-14-methylidene-7-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]oxy]-6-(hydroxymethyl)-3-(3-meth

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Explanation

Atractyloside potassium salt inhibits oxidative phosphorylation by blocking the transfer of adenosine nucleotides through the mitochondrial membrane.

Specifications

Synonyms

Atractyloside potassium salt | 102130-43-8 | Atractyloside Dipotassium Salt | Dipotassium;[(2S, 3R, 4R, 5R, 6R)-2-[[(1R, 4R, 5R, 7R, 9R, 10S, 13R, 15S)-5-carboxy-15-hydroxy-9-methyl-14-methylidene-7-tetracyclo[11.2.1.01, 10.04, 9]hexadecanyl]oxy]-6-(hydroxymethyl)-3-(3-meth

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: CC(C)CC(=O)OC1C(C(C(OC1OC2CC(C3CCC45CC(CCC4C3(C2)C)C(=C)C5O)C(=O)O)CO)OS(=O)(=O)[O-])OS(=O)(=O)[O-].[K+].[K+]
• IUPAC Name: dipotassium;[(2S,3R,4R,5R,6R)-2-[[(1R,4R,5R,7R,9R,10S,13R,15S)-5-carboxy-15-hydroxy-9-methyl-14-methylidene-7-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]oxy]-6-(hydroxymethyl)-3-(3-methylbutanoyloxy)-5-sulfonatooxyoxan-4-yl] sulfate
• InChIKey: IUCNQFHEWLYECJ-VCQILIGCSA-L
• INCHI: 1S/C30H46O16S2.2K/c1-14(2)9-22(32)44-25-24(46-48(39,40)41)23(45-47(36,37)38)20(13-31)43-28(25)42-17-10-18(27(34)35)19-7-8-30-11-16(15(3)26(30)33)5-6-21(30)29(19,4)12-17;;/h14,16-21,23-26,28,31,33H,3,5-13H2,1-2,4H3,(H,34,35)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2/t16-,17-,18-,19-,20-,21+,23-,24+,25-,26+,28+,29-,30-;;/m1../s1
• Isomeric SMILES: CC(C)CC(=O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[C@@H]2C[C@H]([C@H]3CC[C@@]45C[C@@H](CC[C@H]4[C@@]3(C2)C)C(=C)[C@@H]5O)C(=O)O)CO)OS(=O)(=O)[O-])OS(=O)(=O)[O-].[K+].[K+]
• PubChem CID: 12299879
• Molecular Weight: 802.99

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Prenol lipids
      • Subclass Terpene glycosides

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Terpene glycosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Diterpene glycosides
• Alternative Parents: Kaurane diterpenoids Fatty acyl glycosides of mono- and disaccharides Hexoses Alkyl glycosides Short-chain hydroxy acids and derivatives Fatty acid esters Sulfuric acid monoesters Oxanes Dicarboxylic acids and derivatives Alkyl sulfates Secondary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Oxacyclic compounds Carboxylic acids Organic potassium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Diterpene glycoside - Kaurane diterpenoid - Diterpenoid - Fatty acyl glycoside of mono- or disaccharide - Fatty acyl glycoside - Hexose monosaccharide - Alkyl glycoside - Short-chain hydroxy acid - Fatty acid ester - Fatty acyl - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Oxane - Monosaccharide - Dicarboxylic acid or derivatives - Organic sulfuric acid or derivatives - Cyclic alcohol - Secondary alcohol - Carboxylic acid ester - Oxacycle - Organic alkali metal salt - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic potassium salt - Organic salt - Organooxygen compound - Alcohol - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as diterpene glycosides. These are diterpenoids in which an isoprene unit is glycosylated.
• 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

Chemical and Physical Properties

• Molecular Weight: 803.000 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 10
• Exact Mass: 802.134 Da
• Monoisotopic Mass: 802.134 Da
• Topological Polar Surface Area: 272.000 Ų
• Heavy Atom Count: 50
• Formal Charge: 0
• Complexity: 1440.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 13
• 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: 3

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