AureusiMine A
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AureusiMine A
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CAS No:
1244033-70-2
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Formula:
C14H16N2O2
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Chemical Name:
AureusiMine A
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Synonyms:
aureusimine A;Aureusamine A;tyrvalin;SCHEMBL21707884;CHEBI:167319;6-(4-hydroxybenzyl)-3-isopropylpyrazin-2(1H)-one;6-(4-hydroxybenzyl)-3-(propan-2-yl)pyrazin-2(1H)-one;6-[(4-hydroxyphenyl)methyl]-3-isopropyl-1H-pyrazin-2-one;6-[(4-hydroxyphenyl)methyl]-3-(1-methylethyl)-2(1H)-pyrazinone
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CAS No:
Description
Tyrvalin is a member of the class of pyrazinones that is pyrazin-2(1H)-one substituted by an isopropyl and (4-hydroxyphenyl)methyl groups at positions 3 and 6, respectively. It is a natural product found in Staphylococcus aureus. It has a role as a bacterial metabolite. It is a member of phenols and a pyrazinone.
AureusiMine A Use and Manufacturing
Aureusimine A is a novel small molecule produced by a non-ribosomal peptide synthetase (NRPS) and is present in every virulent strain of S. aureus and Methicillin resistant S. aureus (MRSA) and GeneChip data shows upregulation under conditions suggestive that it is an important virulence factor.
Computed Properties
Molecular Weight:244.29
XLogP3:1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:244.121177757
Monoisotopic Mass:244.121177757
Topological Polar Surface Area:61.7
Heavy Atom Count:18
Complexity:377
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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