Molecule

Fimsbactin D

AlkaPlorer ID: AK077151

Synonym: None

IUPAC Name: [(2S)-3-(3-acetamidopropylamino)-2-[[(4S)-2-(2,3-dihydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carbonyl]amino]-3-oxopropyl] 2,3-dihydroxybenzoate

Structure

SMILES: CC(O)=NCCCN=C(O)[C@H](COC(=O)C1=CC=CC(O)=C1O)N=C(O)[C@@H]1COC(C2=CC=CC(O)=C2O)=N1

InChI: InChI=1S/C25H28N4O10/c1-13(30)26-9-4-10-27-22(35)16(12-39-25(37)15-6-3-8-19(32)21(15)34)28-23(36)17-11-38-24(29-17)14-5-2-7-18(31)20(14)33/h2-3,5-8,16-17,31-34H,4,9-12H2,1H3,(H,26,30)(H,27,35)(H,28,36)/t16-,17-/m0/s1

InChIKey: AIGALQWZVLEUFI-IRXDYDNUSA-N

Reference

Structure and Biosynthesis of Fimsbactins A–F, Siderophores from <i>Acinetobacter baumannii</i> and <i>Acinetobacter baylyi</i>

PubChem CID: 139586560

LOTUS: LTS0178229

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NPAtlas: NPA012445

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Acinetobacter baumannii	Acinetobacter	Moraxellaceae	Moraxellales	Gammaproteobacteria	Pseudomonadota	None	Bacteria

Properties Information

Molecule Weight: 544.5170000000003

TPSA？: 226.58

MolLogP？: 2.1595000000000004

Number of H-Donors: 7

Number of H-Acceptors: 11

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi