Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA032762
PROPERTIES
| NPAID | NPA032762 |
|---|---|
| CLUSTER ID | 3140 |
| NODE ID | 2393 |
| NAME | Parabactin |
| FORMULA | C32H36N4O9 |
| MOLECULAR WEIGHT (Da) | 620.6590 |
| ACCURATE MASS (Da) | 620.2482 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Paracoccus |
| ORIGIN SPECIES | denitrificans N.C.I.B. 8944 |
| InChIKey | FRCJDPPXHQGEKS-BCHFMIIMSA-N |
| InChI | InChI=1S/C32H36N4O9/c1-19-26(35-31(45-19)20-9-2-3-12-23(20)37)32(44)36(18-8-16-34-30(43)22-11-7-14-25(39)28(22)41)17-5-4-15-33-29(42)21-10-6-13-24(38)27(21)40/h2-3,6-7,9-14,19,26,37-41H,4-5,8,15-18H2,1H3,(H,33,42)(H,34,43)/t19-,26+/m1/s1 |
| SMILES | C[C@H]1OC(C2=CC=CC=C2O)=N[C@@H]1C(=O)N(CCCCNC(=O)C1=C(O)C(O)=CC=C1)CCCNC(=O)C1=C(O)C(O)=CC=C1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Peterson, T.; Neilands, J. B. Revised structure of a catecholamide spermidine siderophore : From Paracoccus denitrificane Tetrahedron Letters 1979 20 (50) 4805-4808. | ||
|---|---|---|---|
| DOI | 10.1016/S0040-4039(01)86717-4 | PMID | - |
