Molecule

Yersiniabactin

AlkaPlorer ID: AK046329

Synonym: '', 'Yersiniabactin'

IUPAC Name: (4S)-2-[(1S)-1-hydroxy-1-[(2R,4R)-2-[(4R)-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: CC(C)(C1=N[C@@](C)(C(=O)O)CS1)[C@H](O)[C@@H]1CS[C@H]([C@H]2CSC(C3=CC=CC=C3O)=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)/t12-,13+,15+,17+,21+/m0/s1

InChIKey: JHYVWAMMAMCUIR-NIJJZIDKSA-N

Reference

Synthetic studies of thiazoline and thiazolidine-containing natural products. Part 3: Total synthesis and absolute configuration of the siderophore yersiniabactin

PubChem CID: 136754133

LOTUS: LTS0272966

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Yersinia enterocolitica	Yersinia	Yersiniaceae	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