Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA024352
PROPERTIES
| NPAID | NPA024352 |
|---|---|
| CLUSTER ID | 58 |
| NODE ID | 54 |
| NAME | Geldanamycin C |
| FORMULA | C46H68N4O21S |
| MOLECULAR WEIGHT (Da) | 1045.1240 |
| ACCURATE MASS (Da) | 1044.4097 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. AD-23-14 |
| InChIKey | GZTUJHIGOQXOGU-SFBHKTAZSA-N |
| InChI | InChI=1S/C46H68N4O21S/c1-17-12-22-30(54)27(49-43(63)18(2)10-9-11-24(66-6)39(71-46(47)65)20(4)14-19(3)29(53)25(13-17)67-7)42(38(62)40(22)68-8)72-16-23(48-21(5)52)44(64)50-28-32(56)31(55)26(15-51)69-45(28)70-41-36(60)34(58)33(57)35(59)37(41)61/h9-11,14,17,19,23-26,28-29,31-37,39,41,45,51,53,55-61H,12-13,15-16H2,1-8H3,(H2,47,65)(H,48,52)(H,49,63)(H,50,64)/b11-9-,18-10+,20-14+/t17-,19+,23+,24+,25+,26-,28-,29-,31-,32-,33?,34-,35+,36-,37-,39+,41?,45-/m1/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=C(C(=O)C(=C(C1)C2=O)OC)SC[C@@H](C(=O)N[C@@H]3[C@H]([C@@H]([C@H](O[C@@H]3OC4[C@@H]([C@H](C([C@H]([C@H]4O)O)O)O)O)CO)O)O)NC(=O)C)/C)OC)OC(=O)N)\C)C)O)OC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Wang, Xiachang; Zhang, Yinan; Ponomareva, Larissa V.; Qiu, Qingchao; Woodcock, Ryan; Elshahawi, Sherif I.; Chen, Xiabin; Zhou, Ziyuan; Hatcher, Bruce E.; Hower, James C.; Zhan, Chang-Guo; Parkin, Sean; Kharel, Madan K.; Voss, S. Randal; Shaaban, Khaled A.; Thorson, Jon S. Mccrearamycins A–D, Geldanamycin-Derived Cyclopentenone Macrolactams from an Eastern Kentucky Abandoned Coal Mine Microbe Angewandte Chemie International Edition 2017 56 (11) 2994-2998. | ||
|---|---|---|---|
| DOI | 10.1002/anie.201612447 | PMID | 28140487 |
