Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA003301
PROPERTIES
| NPAID | NPA003301 |
|---|---|
| CLUSTER ID | 58 |
| NODE ID | 54 |
| NAME | Herbimycin A |
| FORMULA | C30H42N2O9 |
| MOLECULAR WEIGHT (Da) | 574.6710 |
| ACCURATE MASS (Da) | 574.2890 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | hygroscopicus |
| InChIKey | MCAHMSDENAOJFZ-BVXDHVRPSA-N |
| InChI | InChI=1S/C30H42N2O9/c1-16-10-9-11-23(37-5)28(41-30(31)36)18(3)12-17(2)27(40-8)24(38-6)13-19(4)26(39-7)21-14-20(33)15-22(25(21)34)32-29(16)35/h9-12,14-15,17,19,23-24,26-28H,13H2,1-8H3,(H2,31,36)(H,32,35)/b11-9-,16-10+,18-12+/t17-,19-,23-,24-,26+,27+,28-/m0/s1 |
| SMILES | C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC2=CC(=O)C=C([C@@H]1OC)C2=O)/C)OC)OC(=O)N)\C)C)OC)OC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ōmura, S; Nakagawa, A; Sadakane, N Structure of herbimycin A new ansamycin antibiotic Tetrahedron Letters 1979 20 (44) 4323-4326. | ||
|---|---|---|---|
| DOI | 10.1016/s0040-4039(01)86578-3 | PMID | - |
SYNTHESES
| CITATION 1 | Canova S; Bellosta V; Bigot A; Mailliet P; Mignani S; Cossy J Total synthesis of herbimycin A. Organic Letters 2007 9 (1) 145-148. DOI: 10.1021/ol062642i PMID: 17192106 | ||
|---|---|---|---|
| CITATION 2 | Carter KD; Panek JS Total synthesis of herbimycin A. Organic Letters 2004 6 (1) 55-57. DOI: 10.1021/ol036092p PMID: 14703349 | ||
| CITATION 3 | Yan R; Bian C; Yu X Total synthesis of herbimycin A. Organic Letters 2014 16 (12) 3280-3283. DOI: 10.1021/ol5012899 PMID: 24911938 | ||
