Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA016309
PROPERTIES
| NPAID | NPA016309 |
|---|---|
| CLUSTER ID | 2403 |
| NODE ID | 1891 |
| NAME | Erythromycin analogue |
| FORMULA | C41H71NO12 |
| MOLECULAR WEIGHT (Da) | 770.0140 |
| ACCURATE MASS (Da) | 769.4976 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Saccharopolyspora |
| ORIGIN SPECIES | erythraea |
| InChIKey | WHXHXUJVDMWYKB-XEYQNGAASA-N |
| InChI | InChI=1S/C41H71NO12/c1-21-19-40(8,48)37(54-39-34(45)29(42(10)11)17-22(2)50-39)25(5)35(53-31-20-41(9,49-12)36(46)27(7)51-31)26(6)38(47)52-30(18-28-15-13-14-16-28)23(3)33(44)24(4)32(21)43/h15,21-27,29-31,33-37,39,44-46,48H,13-14,16-20H2,1-12H3/t21-,22?,23+,24+,25+,26-,27?,29?,30-,31?,33+,34?,35+,36?,37-,39?,40-,41?/m1/s1 |
| SMILES | C[C@@H]1C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O[C@@H]([C@@H]([C@@H]([C@H](C1=O)C)O)C)CC2=CCCC2)C)OC3CC(C(C(O3)C)O)(C)OC)C)OC4C(C(CC(O4)C)N(C)C)O)(C)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | PACEY, MICHAEL S.; DIRLAM, JOHN P.; GELDART, RODERICK W.; LEADLAY, PETER F.; MCARTHUR, HAMISH A. I.; MCCORMICK, ELLEN L.; MONDAY, ROBERT A.; O'CONNELL, THOMAS N.; STAUNTON, JAMES; WINCHESTER, TOBY J. Novel Erythromycins from a Recombinant Saccharopolyspora erythraea Strain NRRL 2338 pIG1. I. Fermentation, Isolation and Biological Activity Journal of Antibiotics 1998 51 (11) 1029-1034. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.51.1029 | PMID | 9918396 |
