Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA003158
PROPERTIES
| NPAID | NPA003158 |
|---|---|
| CLUSTER ID | 1789 |
| NODE ID | 1450 |
| NAME | Anguibactin |
| FORMULA | C15H16N4O4S |
| MOLECULAR WEIGHT (Da) | 348.3840 |
| ACCURATE MASS (Da) | 348.0892 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Vibrio |
| ORIGIN SPECIES | anguillarum |
| InChIKey | GBKVAPJMXMGXJK-NSHDSACASA-N |
| InChI | InChI=1S/C15H16N4O4S/c20-12-3-1-2-10(13(12)21)14-18-11(7-24-14)15(22)19(23)5-4-9-6-16-8-17-9/h1-3,6,8,11,20-21,23H,4-5,7H2,(H,16,17)/t11-/m0/s1 |
| SMILES | O=C([C@@H]1CSC(C2=C(O)C(O)=CC=C2)=N1)N(O)CCC1=CN=CN1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Jalal, MAF; Hossain, MB; Van der Helm, Dick; Sanders-Loehr, J; Actis, LA; Crosa, JH Structure of anguibactin, a unique plasmid-related bacterial siderophore from the fish pathogen Vibrio anguillarum Journal of the American Chemical Society 1989 111 (1) 292-296. | ||
|---|---|---|---|
| DOI | 10.1021/ja00183a044 | PMID | - |
SYNTHESES
| CITATION 1 | Lee H; Song WY; Kim M; Lee MW; Kim S; Park YS; Kwak K; Oh MH; Kim HJ Synthesis and Characterization of Anguibactin To Reveal Its Competence To Function as a Thermally Stable Surrogate Siderophore for a Gram-Negative Pathogen, Acinetobacter baumannii. Organic Letters 2018 20 (20) 6476-6479. DOI: 10.1021/acs.orglett.8b02789 PMID: 30295497 | ||
|---|---|---|---|
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | C1=CC(=C(C(=C1)O)O)C2=NC(=CS2)C(=O)N(CCC3=CN=CN3)O | Jalal, MAF; Hossain, MB; Van der Helm, Dick; Sanders-Loehr, J; Actis, LA; Crosa, JH Structure of anguibactin, a unique plasmid-related bacterial siderophore from the fish pathogen Vibrio anguillarum Journal of the American Chemical Society 1989 111 (1) 292-296. DOI: 10.1021/ja00183a044 | ||
| 2 | O=C([C@@H]1CSC(C2=C(O)C(O)=CC=C2)=N1)N(O)CCC1=CN=CN1 | Lee H; Song WY; Kim M; Lee MW; Kim S; Park YS; Kwak K; Oh MH; Kim HJ Synthesis and Characterization of Anguibactin To Reveal Its Competence To Function as a Thermally Stable Surrogate Siderophore for a Gram-Negative Pathogen, Acinetobacter baumannii. Organic Letters 2018 20 (20) 6476-6479. DOI: 10.1021/acs.orglett.8b02789 PMID: 30295497 | ||
