yersiniabactin
Chemical Formula:
C22H29N3O3S3
Molecular Weight:
479.669 Daltons
Monoisotopic Mass:
480.1449289149 Daltons
SMILES:
CC(C(C)(C)C1(=NC(C(=O)[O-])(C)CS1))C2([N+]C(SC2)C4(CSC(C3(C(O)=CC=CC=3))=N4))
InChI:
1S/C22H29N3O3S3/c1-12(21(2,3)19-25-22(4,11-31-19)20(27)28)14-9-30-18(23-14)15-10-29-17(24-15)13-7-5-6-8-16(13)26/h5-8,12,14-15,18,23,26H,9-11H2,1-4H3,(H,27,28)
InChIKey:
Databases
MetaCyc:
CPD-9991
Seed:
cpd08829
ChEBI:
29707
MetaNetX:
MNXM22472
KEGG:
C12038