Aerobactin
AlkaPlorer ID: AK283390
Synonym: 3,12,21-Trihydroxy-2,10,14,22-tetraoxo-3,9,15,21-tetraazatricosane-8,12,16-tricarboxylic acid, N2,N2'-(3-Carboxy-3-hydroxyglutaroyl)bis[N6-acetyl-N6-hydroxylysine]
IUPAC Name: 4-[[5-[acetyl(hydroxy)amino]-1-carboxypentyl]amino]-2-[2-[[5-[acetyl(hydroxy)amino]-1-carboxypentyl]amino]-2-oxoethyl]-2-hydroxy-4-oxobutanoic acid
Structure
SMILES: CC(=O)N(O)CCCCC(NC(=O)CC(O)(CC(=O)NC(CCCCN(O)C(C)=O)C(=O)O)C(=O)O)C(=O)O
InChI: InChI=1S/C22H36N4O13/c1-13(27)25(38)9-5-3-7-15(19(31)32)23-17(29)11-22(37,21(35)36)12-18(30)24-16(20(33)34)8-4-6-10-26(39)14(2)28/h15-16,37-39H,3-12H2,1-2H3,(H,23,29)(H,24,30)(H,31,32)(H,33,34)(H,35,36)
InChIKey: KDHHWXGBNUCREU-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Klebsiella | Enterobacteriaceae | Enterobacterales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
| Vibrio mimicus | Vibrio | Vibrionaceae | Vibrionales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
| Escherichia coli | Escherichia | Enterobacteriaceae | Enterobacterales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 564.5450000000004
TPSA？: 271.41
MolLogP？: -1.4628999999999903
Number of H-Donors: 8
Number of H-Acceptors: 10
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|