Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA033432
PROPERTIES
| NPAID | NPA033432 |
|---|---|
| CLUSTER ID | 34 |
| NODE ID | 33 |
| NAME | Heterobactin A |
| FORMULA | C27H30N6O10 |
| MOLECULAR WEIGHT (Da) | 598.5690 |
| ACCURATE MASS (Da) | 598.2023 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Rhodococcus |
| ORIGIN SPECIES | erythropolis IGTS8 |
| InChIKey | GGGBMILSFFINFG-UHFFFAOYSA-N |
| InChI | InChI=1S/C27H30N6O10/c34-17-8-9-19-22(30-13-43-19)21(17)26(40)32-15(5-2-10-28-24(38)14-4-1-7-18(35)23(14)37)25(39)29-12-20(36)31-16-6-3-11-33(42)27(16)41/h1,4,7-9,13,15-16,34-35,37,42H,2-3,5-6,10-12H2,(H,28,38)(H,29,39)(H,31,36)(H,32,40) |
| SMILES | O=C(CNC(=O)C(CCCNC(=O)C1=C(O)C(O)=CC=C1)NC(=O)C1=C(O)C=CC2=C1N=CO2)NC1CCCN(O)C1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Carran, C J; Jordan, M; Drechsel, H; Schmid, D G; Winkelmann, G Heterobactins: A new class of siderophores from Rhodococcus erythropolis IGTS8 containing both hydroxamate and catecholate donor groups. BioMetals 2001 14 (2) 119-125. | ||
|---|---|---|---|
| DOI | 10.1023/A:1016633529461 | PMID | 11508844 |
