Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00003739997 | Bronze | Bacillibactin |
COMPOUND NPA020129
PROPERTIES
| NPAID | NPA020129 |
|---|---|
| CLUSTER ID | 6391 |
| NODE ID | 4424 |
| NAME | Corynebactin |
| FORMULA | C39H42N6O18 |
| MOLECULAR WEIGHT (Da) | 882.7890 |
| ACCURATE MASS (Da) | 882.2556 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Corynebacterium |
| ORIGIN SPECIES | glutamicum ATCC 14067 |
| InChIKey | RCQTVEFBFUNTGM-BDVHUIKKSA-N |
| InChI | InChI=1S/C39H42N6O18/c1-16-28(43-25(49)13-40-34(55)19-7-4-10-22(46)31(19)52)37(58)62-18(3)30(45-27(51)15-42-36(57)21-9-6-12-24(48)33(21)54)39(60)63-17(2)29(38(59)61-16)44-26(50)14-41-35(56)20-8-5-11-23(47)32(20)53/h4-12,16-18,28-30,46-48,52-54H,13-15H2,1-3H3,(H,40,55)(H,41,56)(H,42,57)(H,43,49)(H,44,50)(H,45,51)/t16-,17-,18-,28+,29+,30+/m1/s1 |
| SMILES | C[C@@H]1[C@@H](C(=O)O[C@@H]([C@@H](C(=O)O[C@@H]([C@@H](C(=O)O1)NC(=O)CNC(=O)C2=C(C(=CC=C2)O)O)C)NC(=O)CNC(=O)C3=C(C(=CC=C3)O)O)C)NC(=O)CNC(=O)C4=C(C(=CC=C4)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | H. Budzikiewicz, A. Bo_ssenkamp, K. Taraz, A. Pandey, J.-M. Meyer Corynebactin, a Cyclic Catecholate Siderophore from Corynebacterium glutamicum ATCC 14067 (Brevibacterium sp. DSM 20411) Zeitschrift fur Naturforschung C: Journal of Biosciences 1997 52 (7-8) 551-554. | ||
|---|---|---|---|
| DOI | 10.1515/znc-1997-7-820 | PMID | - |
