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26198-65-2

26198-65-2 Structure

26198-65-2 Structure
IdentificationBack Directory
[Name]

3-[[(1S)-5-(acetyl-hydroxy-amino)-1-carboxy-pentyl]carbamoyl]-2-[[(1S)-5-(acetyl-hydroxy-amino)-1-carboxy-pentyl]carbamoylmethyl]-2-hydroxy-propanoic acid
[CAS]

26198-65-2
[Synonyms]

Aerobacin
Aerobactin
(8S,16S)-2,10,14,22-Tetraoxo-3,12,21-trihydroxy-3,9,15,21-tetraazatricosane-8,12,16-tricarboxylic acid
3,9,15,21-Tetraazatricosane-8,12,16-tricarboxylic acid, 3,12,21-trihydroxy-2,10,14,22-tetraoxo-, (8S,16S)-
3-[[(1S)-5-(acetyl-hydroxy-amino)-1-carboxy-pentyl]carbamoyl]-2-[[(1S)-5-(acetyl-hydroxy-amino)-1-carboxy-pentyl]carbamoylmethyl]-2-hydroxy-propanoic acid
[Molecular Formula]

C22H36N4O13
[MOL File]

26198-65-2.mol
[Molecular Weight]

564.54
Chemical PropertiesBack Directory
[density ]

1.449±0.06 g/cm3(Predicted)
[form ]

Solid
[pka]

3.19±0.10(Predicted)
[color ]

Light yellow to brown
[InChIKey]

KDHHWXGBNUCREU-HOTGVXAUSA-N
[SMILES]

CC(=O)N(O)CCCC[C@@H](C(O)=O)NC(=O)CC(O)(C(O)=O)CC(=O)N[C@H](C(O)=O)CCCCN(O)C(=O)C
Hazard InformationBack Directory
[Uses]

Aerobactin is a siderophore produced by bacteria. Aerobactin is a highly potent pathogenic factor[1].
[Definition]

ChEBI: Aerobactin is a L-lysine derivative. It has a role as a siderophore, an Escherichia coli metabolite and a virulence factor. It is a conjugate acid of an aerobactinate(3-).
[IC 50]

Human Endogenous Metabolite
[References]

[1] Lawlor KM,et al. Aerobactin genes in Shigella spp. J Bacteriol. 1984 Oct;160(1):266-72. DOI:10.1128/jb.160.1.266-272.1984
[2] Gibson F, et al. The isolation and characterization of a hydroxamic acid (aerobactin) formed by Aerobacter aerogenes 62-I. Biochim Biophys Acta. 1969 Nov 18;192(2):175-84. DOI:10.1016/0304-4165(69)90353-5
Spectrum DetailBack Directory
[Spectrum Detail]

3-[[(1S)-5-(acetyl-hydroxy-amino)-1-carboxy-pentyl]carbamoyl]-2-[[(1S)-5-(acetyl-hydroxy-amino)-1-carboxy-pentyl]carbamoylmethyl]-2-hydroxy-propanoic acid(26198-65-2)1HNMR
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