Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00005716589 | Gold | 3 |
COMPOUND NPA010109
PROPERTIES
| NPAID | NPA010109 |
|---|---|
| CLUSTER ID | 119 |
| NODE ID | 113 |
| NAME | Petrobactin |
| FORMULA | C34H50N6O11 |
| MOLECULAR WEIGHT (Da) | 718.8050 |
| ACCURATE MASS (Da) | 718.3538 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Marinobacter |
| ORIGIN SPECIES | hydrocarbonoclasticus |
| InChIKey | GKIMOVAPSAVJHZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C34H50N6O11/c41-25-9-7-23(19-27(25)43)31(47)39-17-5-13-35-11-1-3-15-37-29(45)21-34(51,33(49)50)22-30(46)38-16-4-2-12-36-14-6-18-40-32(48)24-8-10-26(42)28(44)20-24/h7-10,19-20,35-36,41-44,51H,1-6,11-18,21-22H2,(H,37,45)(H,38,46)(H,39,47)(H,40,48)(H,49,50) |
| SMILES | C1=CC(=C(C=C1C(=O)NCCCNCCCCNC(=O)CC(CC(=O)NCCCCNCCCNC(=O)C2=CC(=C(C=C2)O)O)(C(=O)O)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Barbeau, Katherine; Zhang, Guangping; Live, David H; Butler, Alison Petrobactin, a photoreactive siderophore produced by the oil-degrading marine bacterium Marinobacter hydrocarbonoclasticus Journal of the American Chemical Society 2002 124 (3) 378-379. | ||
|---|---|---|---|
| DOI | 10.1021/ja0119088 | PMID | 11792199 |
