pyochelin

Chemical Formula:

C₁₄H₁₅N₂O₃S₂

Molecular Weight:

323.404 Daltons

Monoisotopic Mass:

324.06023377030004 Daltons

SMILES:

CN1(C(C([O-])=O)CS[CH]1[CH]3(CSC(C2(C(O)=CC=CC=2))=N3))

InChI:

1S/C14H16N2O3S2/c1-16-10(14(18)19)7-21-13(16)9-6-20-12(15-9)8-4-2-3-5-11(8)17/h2-5,9-10,13,17H,6-7H2,1H3,(H,18,19)/p-1/t9-,10+,13-/m1/s1

InChIKey:

NYBZAGXTZXPYND-GBIKHYSHSA-M

Databases

MetaCyc: CPD-9992

MetaboLights: MTBLC29669

KEGG: C12037

ChEBI: 29669

PubChem (CID): 46173412 135926557

Seed: cpd08828

MetaNetX: MNXM12813