Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA026798
PROPERTIES
| NPAID | NPA026798 |
|---|---|
| CLUSTER ID | 8112 |
| NODE ID | 5507 |
| NAME | Thaxteramide A1 |
| FORMULA | C46H61N7O12 |
| MOLECULAR WEIGHT (Da) | 904.0310 |
| ACCURATE MASS (Da) | 903.4378 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Jahnella |
| ORIGIN SPECIES | thaxteri |
| InChIKey | ASCSQLLRIGBYHA-BSTBANAQSA-N |
| InChI | InChI=1S/C46H61N7O12/c1-27(9-8-12-30-10-6-5-7-11-30)35(47)23-39(57)50-38(26-54)44(61)53-41(29(3)55)45(62)51-36(21-32-15-19-34(65-4)20-16-32)43(60)49-25-40(58)48-24-28(2)42(59)52-37(46(63)64)22-31-13-17-33(56)18-14-31/h5-8,10-20,27-29,35-38,41,54-56H,9,21-26,47H2,1-4H3,(H,48,58)(H,49,60)(H,50,57)(H,51,62)(H,52,59)(H,53,61)(H,63,64)/t27?,28?,29?,35?,36-,37-,38-,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)NCC(C)C(=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 |
