Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00005716589 | Gold | 3 |
COMPOUND NPA010109
PROPERTIES
| NPAID | NPA010109 |
|---|---|
| CLUSTER ID | 34 |
| NODE ID | 33 |
| 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 | GLVWQIVKGPNDGJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C34H50N6O11/c41-25-11-5-9-23(29(25)45)31(47)39-19-7-15-35-13-1-3-17-37-27(43)21-34(51,33(49)50)22-28(44)38-18-4-2-14-36-16-8-20-40-32(48)24-10-6-12-26(42)30(24)46/h5-6,9-12,35-36,41-42,45-46,51H,1-4,7-8,13-22H2,(H,37,43)(H,38,44)(H,39,47)(H,40,48)(H,49,50) |
| SMILES | O=C(CC(O)(CC(=O)NCCCCNCCCNC(=O)C1=C(O)C(O)=CC=C1)C(=O)O)NCCCCNCCCNC(=O)C1=C(O)C(O)=CC=C1 |
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 |
SYNTHESES
| CITATION 1 | Gardner RA; Kinkade R; Wang C; Phanstiel O Total synthesis of petrobactin and its homologues as potential growth stimuli for Marinobacter hydrocarbonoclasticus, an oil-degrading bacteria. Journal of Organic Chemistry 2004 69 (10) 3530-3537. DOI: 10.1021/jo049803l PMID: 15132566 | ||
|---|---|---|---|
