Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA015860
PROPERTIES
| NPAID | NPA015860 |
|---|---|
| CLUSTER ID | 2538 |
| NODE ID | 141 |
| NAME | Tridecaptin A1 |
| FORMULA | C73H115N17O20 |
| MOLECULAR WEIGHT (Da) | 1550.8220 |
| ACCURATE MASS (Da) | 1549.8504 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Paenibacillus |
| ORIGIN SPECIES | terrae NRRL B-30644 |
| InChIKey | BFWVEYLLAWYDQP-WSNTWWIMSA-N |
| InChI | InChI=1S/C73H115N17O20/c1-10-40(7)21-22-45(93)33-56(94)88-59(38(3)4)70(106)84-49(25-28-74)62(98)78-35-57(95)80-54(36-91)68(104)86-53(32-44-34-77-47-20-16-15-19-46(44)47)67(103)87-55(37-92)69(105)83-50(26-29-75)63(99)82-51(27-30-76)64(100)85-52(31-43-17-13-12-14-18-43)66(102)81-48(23-24-58(96)97)65(101)89-60(39(5)6)71(107)90-61(41(8)11-2)72(108)79-42(9)73(109)110/h12-20,34,38-42,45,48-55,59-61,77,91-93H,10-11,21-33,35-37,74-76H2,1-9H3,(H,78,98)(H,79,108)(H,80,95)(H,81,102)(H,82,99)(H,83,105)(H,84,106)(H,85,100)(H,86,104)(H,87,103)(H,88,94)(H,89,101)(H,90,107)(H,96,97)(H,109,110)/t40-,41-,42-,45+,48-,49+,50-,51+,52-,53+,54+,55-,59+,60-,61+/m0/s1 |
| SMILES | CC[C@H](C)CC[C@H](CC(=O)N[C@H](C(C)C)C(=O)N[C@H](CCN)C(=O)NCC(=O)N[C@H](CO)C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCN)C(=O)N[C@H](CCN)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Lohans, Christopher T.; Van Belkum, Marco J.; Cochrane, Stephen A.; Huang, Zedu; Sit, Clarissa S.; McMullen, Lynn M.; Vederas, John C. Biochemical, structural, and genetic characterization of tridecaptin A1, an antagonist of campylobacter jejuni ChemBioChem 2014 15 (2) 243-249. | ||
|---|---|---|---|
| DOI | 10.1002/cbic.201300595 | PMID | 24382692 |
