Molecule

Yersiniabactin

AlkaPlorer ID: AK318046

Synonym: Yersiniophore

IUPAC Name: 2-[1-hydroxy-1-[2-[2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazolidin-4-yl]-2-methylpropan-2-yl]-4-methyl-5H-1,3-thiazole-4-carboxylic acid

Structure

SMILES: CC1(C(=O)O)CSC(C(C)(C)C(O)C2CSC(C3CSC(C4=CC=CC=C4O)=N3)N2)=N1

InChI: InChI=1S/C21H27N3O4S3/c1-20(2,18-24-21(3,10-31-18)19(27)28)15(26)12-8-30-17(22-12)13-9-29-16(23-13)11-6-4-5-7-14(11)25/h4-7,12-13,15,17,22,25-26H,8-10H2,1-3H3,(H,27,28)

InChIKey: JHYVWAMMAMCUIR-UHFFFAOYSA-N

Reference

Structure elucidation of yersiniabactin, a siderophore from highly virulent <i>Yersinia</i> strains

PubChem CID: 136771248

CAS: 152166-40-0

LOTUS: LTS0247436

COCONUT: CNP0188458.3

{

NPAtlas: NPA015861

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Vibrio	Vibrionaceae	Vibrionales	Gammaproteobacteria	Pseudomonadota	None	Bacteria
Yersinia pestis	Yersinia	Yersiniaceae	Enterobacterales	Gammaproteobacteria	Pseudomonadota	None	Bacteria
Yersinia enterocolitica	Yersinia	Yersiniaceae	Enterobacterales	Gammaproteobacteria	Pseudomonadota	None	Bacteria
Escherichia coli	Escherichia	Enterobacteriaceae	Enterobacterales	Gammaproteobacteria	Pseudomonadota	None	Bacteria

Properties Information

Molecule Weight: 481.6650000000001

TPSA？: 114.51

MolLogP？: 2.661000000000001

Number of H-Donors: 4

Number of H-Acceptors: 9

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi