CID 5281901

Base Information

• Chemical Name: CID 5281901
• CAS No.: 11052-72-5
• Molecular Formula: C45H74 O10
• Molecular Weight: 478.74
• Hs Code.: 2941900000
• European Community (EC) Number: 234-276-0
• Metabolomics Workbench ID: 70479
• Nikkaji Number: J39.564A
• Wikidata: Q63390540
• Mol file: 11052-72-5.mol

Synonyms:oligomycin C

Chemical Property of CID 5281901

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 876.2°Cat760mmHg
• PKA: 13.49±0.70(Predicted)
• Flash Point: 249.4°C
• PSA: 159.82000
• Density: 1.12g/cm³
• LogP: 6.76770
• Storage Temp.: −20°C
• Solubility.: Soluble in DMSO
• XLogP3: 8
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 3
• Exact Mass: 774.52819855
• Heavy Atom Count: 55
• Complexity: 1340

Purity/Quality:

98%,99%, ^*data from raw suppliers

Oligomycin C ^*data from reagent suppliers

Safty Information:

• Pictogram(s): A poison.
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCC1CCC2C(C(C(C3(O2)CCC(C(O3)CC(C)O)C)C)OC(=O)C=CC(C(C(C(=O)C(C(C(C(=O)C(C(C(CC=CC=C1)C)O)C)C)O)C)C)O)C)C
• Isomeric SMILES: CC[C@H]\1CC[C@@H]2[C@@H]([C@@H]([C@H]([C@@]3(O2)CC[C@H]([C@H](O3)C[C@H](C)O)C)C)OC(=O)/C=C/[C@H]([C@@H]([C@H](C(=O)[C@H]([C@@H]([C@H](C(=O)[C@@H]([C@@H]([C@H](C/C=C/C=C1)C)O)C)C)O)C)C)O)C)C
• Description: Oligomycins are macrolides created by Streptomyces species that can be toxic to other organisms. Different oligomycin isomers are highly specific for the disruption of mitochondrial metabolism. Oligomycin C is a minor component of the oligomycin complex that acts as an inhibitor of the mitochondrial F1FO-ATP synthase. Inhibition of the ATP synthase by oligomycins leads to cell death.
• Uses: Oligomycin C, a minor component of the oligomycin complex isolated from selected strains of Streptomyces, is an inhibitor of mitochondrial F1F0-ATPase. It makes cells more susceptible to cell death, and also leads to a switch in the death mode from apoptosis to necrosis. Oligomycin C is an ATP synthetase and RVD inhibitor.