58823-09-9 Purity
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Specification
The PubChem CID of Ambruticin is 6918547.
The molecular formula of Ambruticin is C28H42O6.
The synonyms of Ambruticin include SMP-78 acid, S 58857-02-6, W7783, and W-7783.
The molecular weight of Ambruticin is 474.6 g/mol.
Ambruticin was created on July 28, 2006, and last modified on December 30, 2023.
Ambruticin is a natural product found in Sorangium cellulosum.
Ambruticin interferes with the osmoregulatory system by activating fungal high osmolarity glycerol (HOG) pathway. This results in an accumulation of intracellular glycerol, which causes water influx and cell swelling, ultimately leading to cellular leakage and cell death.
The IUPAC name of Ambruticin is 2-[(2S,4S,5R,6S)-6-[(E)-2-[(1S,2S,3R)-2-[(1E,3R,4E)-5-[(2R,6R)-6-ethyl-5-methyl-3,6-dihydro-2H-pyran-2-yl]-3-methylhexa-1,4-dienyl]-3-methylcyclopropyl]ethenyl]-4,5-dihydroxyoxan-2-yl]acetic acid.
The canonical SMILES of Ambruticin is CCC1C(=CCC(O1)C(=CC(C)C=CC2C(C2C=CC3C(C(CC(O3)CC(=O)O)O)O)C)C)C.
The InChIKey of Ambruticin is TYIXBSJXUFTELJ-LQJOTGEPSA-N.