HuagongsheHuagongshe Chemistry Print Report · For research reference only
Aerobactin
Aerobactin · Aerobacin · aerboactin · (8S,16S)-3,12,21-Trihydroxy-2,10,14,22-tetraoxo-3,9,15,21-tetraazatricosane-8,12,16-tricarboxylic acid · (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
Identifiers & Physical Properties
| CAS No. | 26198-65-2 |
|---|---|
| Molecular formula | C22H36N4O13 |
| Average molar mass | 564.545 g/mol |
| Monoisotopic mass | 564.22788721 g/mol |
| SMILES | CC(=O)N(O)CCCC[C@H](NC(=O)CC(O)(CC(=O)N[C@@H](CCCCN(O)C(C)=O)C(=O)O)C(=O)O)C(=O)O |
| InChIKey | KDHHWXGBNUCREU-HOTGVXAUSA-N |
| PubChem CID | 123762 |
| ChEBI | CHEBI:18157 |
| DTXSID | DTXSID90904341 |
Chemical & Physical Properties
| Density | 1.449±0.06 g/cm3(Predicted) |
|---|---|
| Physical state | Solid |
| pKa (acidity coefficient) | 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 |
| GHS pictogram | GHS02,GHS07 |
| Signal word | Danger |
| GHS hazard statements | H228-H315-H319 |
| GHS precautionary statements | P240-P210-P241-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313 |
Safety & Regulations
| Signal word | Danger |
|---|---|
| GHS pictogram | GHS02,GHS07 |
| GHS hazard statements | H228-H315-H319 |
| GHS precautionary statements | P240-P210-P241-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313 |
Applications & Uses
Uses
Aerobactin is a siderophore produced by bacteria. Aerobactin is a highly potent pathogenic factor[1].