Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00005724305 | Gold | 3 |
| CCMSLIB00012140998 | Gold | 4 |
| CCMSLIB00012140994 | Gold | 4 |
| CCMSLIB00012140992 | Gold | 4 |
| CCMSLIB00012141000 | Gold | 4 |
| CCMSLIB00009980791 | Gold | 4 |
| CCMSLIB00009980789 | Gold | 4 |
| CCMSLIB00009980795 | Gold | 4 |
| CCMSLIB00009980797 | Gold | 4 |
COMPOUND NPA013123
PROPERTIES
| NPAID | NPA013123 |
|---|---|
| CLUSTER ID | 3548 |
| NODE ID | 2675 |
| NAME | Pyochelin |
| FORMULA | C14H16N2O3S2 |
| MOLECULAR WEIGHT (Da) | 324.4270 |
| ACCURATE MASS (Da) | 324.0602 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Pseudomonas |
| ORIGIN SPECIES | aeruginosa |
| InChIKey | NYBZAGXTZXPYND-GBIKHYSHSA-N |
| InChI | 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)/t9-,10+,13-/m1/s1 |
| SMILES | CN1[C@@H](CS[C@@H]1[C@H]2CSC(=N2)C3=CC=CC=C3O)C(=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Cox, Charles D; Rinehart, Kenneth L; Moore, Michael L; Cook, J Carter Pyochelin: novel structure of an iron-chelating growth promoter for Pseudomonas aeruginosa Proceedings of the National Academy of Sciences of the United States of America 1981 78 (7) 4256-4260. | ||
|---|---|---|---|
| DOI | 10.1073/pnas.78.7.4256 | PMID | 6794030 |
