Molecule

Fimsbactin A

AlkaPlorer ID: AK077133

Synonym: None

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

Structure

SMILES: CC(=O)N(O)CCCCN=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/C26H30N4O11/c1-14(31)30(39)11-3-2-10-27-23(36)17(13-41-26(38)16-7-5-9-20(33)22(16)35)28-24(37)18-12-40-25(29-18)15-6-4-8-19(32)21(15)34/h4-9,17-18,32-35,39H,2-3,10-13H2,1H3,(H,27,36)(H,28,37)/t17-,18-/m0/s1

InChIKey: GUYAPGULLNBOCI-ROUUACIJSA-N

Reference

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

PubChem CID: 139585112

LOTUS: LTS0137109

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NPAtlas: NPA007176

Source

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

Properties Information

Molecule Weight: 574.5430000000002

TPSA？: 234.53

MolLogP？: 1.8108999999999995

Number of H-Donors: 7

Number of H-Acceptors: 12

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi