Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA008982
PROPERTIES
| NPAID | NPA008982 |
|---|---|
| CLUSTER ID | 616 |
| NODE ID | 549 |
| NAME | Sulfadixiamycin B |
| FORMULA | C46H48N2O8S |
| MOLECULAR WEIGHT (Da) | 788.9630 |
| ACCURATE MASS (Da) | 788.3131 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | albus |
| InChIKey | RVJXPFRHRQFKKH-IPPPMHIGSA-N |
| InChI | InChI=1S/C46H48N2O8S/c1-43-15-13-39(49)45(3,41(51)52)37(43)11-5-23-17-35-29(21-31(23)43)27-19-25(7-9-33(27)47-35)57(55,56)26-8-10-34-28(20-26)30-22-32-24(18-36(30)48-34)6-12-38-44(32,2)16-14-40(50)46(38,4)42(53)54/h7-10,17-22,37-40,47-50H,5-6,11-16H2,1-4H3,(H,51,52)(H,53,54)/t37-,38-,39+,40+,43-,44-,45+,46+/m1/s1 |
| SMILES | C[C@]12CC[C@H](O)[C@@](C)(C(=O)O)[C@@H]1CCC1=C2C=C2C(=C1)NC1=C2C=C(S(=O)(=O)C2=CC3=C(C=C2)NC2=CC4=C(C=C23)[C@@]2(C)CC[C@H](O)[C@@](C)(C(=O)O)[C@@H]2CC4)C=C1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Baunach, Martin; Ding, Ling; Willing, Karsten; Hertweck, Christian Bacterial Synthesis of Unusual Sulfonamide and Sulfone Antibiotics by Flavoenzyme-Mediated Sulfur Dioxide Capture Angewandte Chemie International Edition 2015 54 (45) 13279-13283. | ||
|---|---|---|---|
| DOI | 10.1002/anie.201506541 | PMID | 26366473 |
