Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA024855
PROPERTIES
| NPAID | NPA024855 |
|---|---|
| CLUSTER ID | 2462 |
| NODE ID | 1932 |
| NAME | Paenilamicin B1 |
| FORMULA | C43H88N16O13 |
| MOLECULAR WEIGHT (Da) | 1037.2760 |
| ACCURATE MASS (Da) | 1036.6717 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Paenibacillus |
| ORIGIN SPECIES | larvae DSM25430 |
| InChIKey | BQTCONVHRFKHOI-CDNLDTHVSA-N |
| InChI | InChI=1S/C43H88N16O13/c1-25(55-42(72)37(67)33(64)18-26(61)10-4-5-12-44)38(68)57-30(22-50-3)40(70)59-36(28(46)11-8-16-53-43(47)48)41(71)58-31(24-60)32(63)19-27(62)20-34(65)56-29(21-49-2)39(69)54-23-35(66)52-17-9-15-51-14-7-6-13-45/h25-33,36-37,49-51,60-64,67H,4-24,44-46H2,1-3H3,(H,52,66)(H,54,69)(H,55,72)(H,56,65)(H,57,68)(H,58,71)(H,59,70)(H4,47,48,53)/t25-,26-,27+,28-,29+,30+,31+,32-,33+,36-,37-/m1/s1 |
| SMILES | C[C@H](C(=O)N[C@@H](CNC)C(=O)N[C@H]([C@@H](CCCN=C(N)N)N)C(=O)N[C@@H](CO)[C@@H](C[C@@H](CC(=O)N[C@@H](CNC)C(=O)NCC(=O)NCCCNCCCCN)O)O)NC(=O)[C@@H]([C@H](C[C@@H](CCCCN)O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Müller S; Garcia-Gonzalez E; Mainz A; Hertlein G; Heid NC; Mösker E; van den Elst H; Overkleeft HS; Genersch E; Süssmuth RD Paenilamicin: structure and biosynthesis of a hybrid nonribosomal peptide/polyketide antibiotic from the bee pathogen Paenibacillus larvae. Angewandte Chemie International Edition 2014 53 (40) 10821-10825. | ||
|---|---|---|---|
| DOI | 10.1002/anie.201404572 | PMID | 25080172 |
