Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA015568
PROPERTIES
| NPAID | NPA015568 |
|---|---|
| CLUSTER ID | 5410 |
| NODE ID | 3850 |
| NAME | ECO-0501 |
| FORMULA | C46H68N4O10 |
| MOLECULAR WEIGHT (Da) | 837.0680 |
| ACCURATE MASS (Da) | 836.4935 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Amycolatopsis |
| ORIGIN SPECIES | orientalis ATCC 43491 strain |
| InChIKey | JZUVOAOWVXOKMW-BRUGUNMHSA-N |
| InChI | InChI=1S/C46H68N4O10/c1-30(21-15-12-13-20-28-50(6)46(47)48)22-16-14-17-23-31(2)29-34(5)41(59-45-40(55)38(53)39(54)42(60-45)44(57)58)32(3)24-18-10-8-7-9-11-19-25-33(4)43(56)49-37-35(51)26-27-36(37)52/h7-12,15-16,18-19,22,24-25,29-32,38-42,45,51,53-55H,13-14,17,20-21,23,26-28H2,1-6H3,(H3,47,48)(H,49,56)(H,57,58)/b9-7+,10-8+,15-12+,19-11+,22-16+,24-18+,33-25+,34-29+/t30?,31?,32?,38-,39-,40+,41?,42-,45+/m0/s1 |
| SMILES | CC(CCC/C=C/C(C)C/C=C/CCCN(C)C(=N)N)/C=C(\C)/C(C(C)/C=C/C=C/C=C/C=C/C=C(\C)/C(=O)NC1=C(CCC1=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Banskota, Arjun H.; McAlpine, James B.; Sorensen, Dan; Ibrahim, Ashraf; Aouidate, Mustapha; Piraee, Mahmood; Alarco, Anne-Marie; Farnet, Chris M.; Zazopoulos, Emmanuel Genomic analyses lead to novel secondary metabolites: Part 3 ECO-0501, a novel antibacterial of a new class Journal of Antibiotics 2006 59 (9) 533-542. | ||
|---|---|---|---|
| DOI | 10.1038/ja.2006.74 | PMID | 17136886 |
