Bacillibactin
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Bacillibactin
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CAS No:
95536-41-7
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Formula:
C39H42N6O18
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Chemical Name:
Bacillibactin
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Synonyms:
L-Threonine,N-(2,3-dihydroxybenzoyl)glycyl-,trimol. (2→2′),(2′→2′′),(2′′→2)-trilactone;Corynebactin;Bacillibactin;349489-81-2
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CAS No:
Description
ChEBI: A crown compound that is enterobactin in which the pro-R hydrogens at positions 2, 6 and 10 of the trilactone backbone are replaced by methyl groups, and in which a glycine spacer separates the trilactone backbone from each of the catecholamide arms. It is the endogenous siderophore of Bacillus subtilis, used for the acquisition of iron.
Corynebactin is a crown compound that is enterobactin in which the pro-R hydrogens at positions 2, 6 and 10 of the trilactone backbone are replaced by methyl groups, and in which a glycine spacer separates the trilactone backbone from each of the catecholamide arms. It is the endogenous siderophore of Bacillus subtilis, used for the acquisition of iron. It has a role as a metabolite and a bacterial metabolite. It is a crown compound, a member of catechols and a macrocyclic lactone.
Computed Properties
Molecular Weight:882.8
XLogP3:1.6
Hydrogen Bond Donor Count:12
Hydrogen Bond Acceptor Count:18
Rotatable Bond Count:12
Exact Mass:882.25555851
Monoisotopic Mass:882.25555851
Topological Polar Surface Area:375
Heavy Atom Count:63
Complexity:1510
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes