Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA026800
PROPERTIES
| NPAID | NPA026800 |
|---|---|
| CLUSTER ID | 8112 |
| NODE ID | 5507 |
| NAME | Thaxteramide B1 |
| FORMULA | C45H59N7O12 |
| MOLECULAR WEIGHT (Da) | 890.0040 |
| ACCURATE MASS (Da) | 889.4222 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Jahnella |
| ORIGIN SPECIES | thaxteri |
| InChIKey | QWQKYQBPIBBPHE-PZGIPZISSA-N |
| InChI | InChI=1S/C45H59N7O12/c1-27(8-7-11-29-9-5-4-6-10-29)34(46)24-39(57)50-37(26-53)43(60)52-41(28(2)54)44(61)51-35(22-31-14-18-33(64-3)19-15-31)42(59)48-25-40(58)47-21-20-38(56)49-36(45(62)63)23-30-12-16-32(55)17-13-30/h4-7,9-19,27-28,34-37,41,53-55H,8,20-26,46H2,1-3H3,(H,47,58)(H,48,59)(H,49,56)(H,50,57)(H,51,61)(H,52,60)(H,62,63)/t27?,28?,34?,35-,36-,37-,41+/m1/s1 |
| SMILES | COC1=CC=C(C[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CO)NC(=O)CC(N)C(C)CC=CC2=CC=CC=C2)C(C)O)C(=O)NCC(=O)NCCC(=O)N[C@H](CC2=CC=C(O)C=C2)C(=O)O)C=C1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Oueis, Emilia; Klefisch, Thorsten; Zaburannyi, Nestor; Garcia, Ronald; Plaza, Alberto; Müller, Rolf Two Biosynthetic Pathways in Jahnella thaxteri for Thaxteramides, Distinct Types of Lipopeptides Organic Letters 2019 21 (14) 5407-5412. | ||
|---|---|---|---|
| DOI | 10.1021/acs.orglett.9b01524 | PMID | 31184172 |
