Acinetobactin
AlkaPlorer ID: AK063030
Synonym: '', 'Acinetobactin'
IUPAC Name: (4S,5S)-2-(2,3-dihydroxyphenyl)-N-hydroxy-N-[2-(1H-imidazol-5-yl)ethyl]-5-methyl-4,5-dihydro-1,3-oxazole-4-carboxamide
Structure
SMILES: C[C@@H]1OC(C2=CC=CC(O)=C2O)=N[C@@H]1C(=O)N(O)CCC1=CN=CN1
InChI: InChI=1S/C16H18N4O5/c1-9-13(16(23)20(24)6-5-10-7-17-8-18-10)19-15(25-9)11-3-2-4-12(21)14(11)22/h2-4,7-9,13,21-22,24H,5-6H2,1H3,(H,17,18)/t9-,13-/m0/s1
InChIKey: FCWIGDCVHNNXFS-ZANVPECISA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Acinetobacter baumannii | Acinetobacter | Moraxellaceae | Moraxellales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 346.3430000000001
TPSA？: 131.27
MolLogP？: 0.8153000000000001
Number of H-Donors: 4
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|