Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA015675
PROPERTIES
| NPAID | NPA015675 |
|---|---|
| CLUSTER ID | 5177 |
| NODE ID | 141 |
| NAME | Ferrocin A |
| FORMULA | C51H84FeN13O18 |
| MOLECULAR WEIGHT (Da) | 1223.1510 |
| ACCURATE MASS (Da) | 1222.5407 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Pseudomonas |
| ORIGIN SPECIES | fluorescens YK-310 |
| InChIKey | GAPCDFHDLGNEMA-QKILJWLESA-N |
| InChI | InChI=1S/C51H84N13O18.Fe/c1-8-9-10-11-12-13-14-21-41(69)58-40-30-82-44(72)28-55-47(74)37(19-16-23-63(80)34(6)67)57-42(70)26-53-46(73)32(4)52-25-36(18-15-22-62(79)33(5)66)56-49(76)39(29-65)60-51(78)45(31(2)3)61-43(71)27-54-48(75)38(59-50(40)77)20-17-24-64(81)35(7)68;/h13-14,31-32,36-40,45,52,65H,8-12,15-30H2,1-7H3,(H,53,73)(H,54,75)(H,55,74)(H,56,76)(H,57,70)(H,58,69)(H,59,77)(H,60,78)(H,61,71);/q-3;+3/b14-13-;/t32-,36?,37?,38?,39-,40-,45+;/m0./s1 |
| SMILES | CCCCCC/C=C\CC(=O)N[C@H]1COC(=O)CNC(=O)C(NC(=O)CNC(=O)[C@@H](NCC(NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CNC(=O)C(NC1=O)CCCN(C(=O)C)[O-])C(C)C)CO)CCCN(C(=O)C)[O-])C)CCCN(C(=O)C)[O-].[Fe+3] |
ORIGINAL ISOLATION REFERENCE
| CITATION | Tsubotani; Katayama; Funabashi; Ono; Harada Ferrocins, a new iron-containing peptide antibiotics produced by bacteria. Isolation, characterization and structure elucidation Journal of Antibiotics 1993 46 (2) 287-293. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.46.287 | PMID | 8468244 |
