Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028407
PROPERTIES
| NPAID | NPA028407 |
|---|---|
| CLUSTER ID | 1167 |
| NODE ID | 141 |
| NAME | Anantin B1 |
| FORMULA | C88H109N21O22 |
| MOLECULAR WEIGHT (Da) | 1812.9650 |
| ACCURATE MASS (Da) | 1811.8056 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. S-146 |
| InChIKey | CZUGODYQYHOOOX-TWCDBULKSA-N |
| InChI | InChI=1S/C88H109N21O22/c1-5-48(3)76-86(128)97-45-75(119)100-62(34-54-38-91-58-25-17-16-24-57(54)58)79(121)96-44-74(118)102-64(36-68(89)112)83(125)105-65(37-69(113)92-41-71(115)99-60(84(126)108-76)31-51-20-12-8-13-21-51)85(127)109-77(49(4)6-2)87(129)106-59(30-50-18-10-7-11-19-50)78(120)95-43-73(117)101-63(35-55-39-90-47-98-55)82(124)104-61(32-53-26-28-56(111)29-27-53)81(123)107-67(46-110)80(122)94-40-70(114)93-42-72(116)103-66(88(130)131)33-52-22-14-9-15-23-52/h7-29,38-39,47-49,59-67,76-77,91,110-111H,5-6,30-37,40-46H2,1-4H3,(H2,89,112)(H,90,98)(H,92,113)(H,93,114)(H,94,122)(H,95,120)(H,96,121)(H,97,128)(H,99,115)(H,100,119)(H,101,117)(H,102,118)(H,103,116)(H,104,124)(H,105,125)(H,106,129)(H,107,123)(H,108,126)(H,109,127)(H,130,131)/t48-,49-,59-,60-,61-,62-,63-,64-,65-,66-,67-,76-,77-/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)N[C@@H](CC2=CC=CC=C2)C(=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 |
