Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028408
PROPERTIES
| NPAID | NPA028408 |
|---|---|
| CLUSTER ID | 1167 |
| NODE ID | 141 |
| NAME | Anantin B2 |
| FORMULA | C79H100N20O21 |
| MOLECULAR WEIGHT (Da) | 1665.7880 |
| ACCURATE MASS (Da) | 1664.7372 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. S-146 |
| InChIKey | KAPDWNVKXTVBBX-BPQGHQGNSA-N |
| InChI | InChI=1S/C79H100N20O21/c1-5-42(3)68-78(119)88-38-66(108)91-55(28-47-32-82-51-20-14-13-19-50(47)51)71(112)87-37-65(107)93-57(30-60(80)102)75(116)95-58(31-61(103)83-35-63(105)90-53(76(117)98-68)26-45-17-11-8-12-18-45)77(118)99-69(43(4)6-2)79(120)96-52(25-44-15-9-7-10-16-44)70(111)86-36-64(106)92-56(29-48-33-81-41-89-48)74(115)94-54(27-46-21-23-49(101)24-22-46)73(114)97-59(40-100)72(113)85-34-62(104)84-39-67(109)110/h7-24,32-33,41-43,52-59,68-69,82,100-101H,5-6,25-31,34-40H2,1-4H3,(H2,80,102)(H,81,89)(H,83,103)(H,84,104)(H,85,113)(H,86,111)(H,87,112)(H,88,119)(H,90,105)(H,91,108)(H,92,106)(H,93,107)(H,94,115)(H,95,116)(H,96,120)(H,97,114)(H,98,117)(H,99,118)(H,109,110)/t42-,43-,52-,53-,54-,55-,56-,57-,58-,59-,68-,69-/m0/s1 |
| SMILES | CC[C@H](C)[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CNC(=O)C[C@@H](C(=O)N[C@H](C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCC(=O)N[C@@H](CC2=CN=C[NH]2)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)O)[C@@H](C)CC)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC2=C[NH]C3=CC=CC=C23)NC(=O)CNC1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Tietz JI; Schwalen CJ; Patel PS; Maxson T; Blair PM; Tai HC; Zakai UI; Mitchell DA A new genome-mining tool redefines the lasso peptide biosynthetic landscape. Nature Chemical Biology 2017 13 (5) 470-478. | ||
|---|---|---|---|
| DOI | 10.1038/nchembio.2319 | PMID | 28244986 |
