Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA024356
PROPERTIES
| NPAID | NPA024356 |
|---|---|
| CLUSTER ID | 58 |
| NODE ID | 54 |
| NAME | Mccrearamycin A |
| FORMULA | C45H70N4O21S |
| MOLECULAR WEIGHT (Da) | 1035.1290 |
| ACCURATE MASS (Da) | 1034.4253 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. AD-23-14 |
| InChIKey | ZHMUQNWJVCNYJH-HANMJCAGSA-N |
| InChI | InChI=1S/C45H70N4O21S/c1-17-12-22-29(53)39(49-41(61)18(2)10-9-11-24(65-6)37(70-44(46)63)20(4)14-19(3)28(52)25(13-17)66-7)45(64,40(22)67-8)71-16-23(47-21(5)51)42(62)48-27-31(55)30(54)26(15-50)68-43(27)69-38-35(59)33(57)32(56)34(58)36(38)60/h9-11,14,17,19,23-28,30-39,43,50,52,54-60,64H,12-13,15-16H2,1-8H3,(H2,46,63)(H,47,51)(H,48,62)(H,49,61)/b11-9-,18-10+,20-14+/t17-,19+,23+,24+,25+,26-,27-,28-,30-,31-,32?,33-,34+,35-,36-,37+,38?,39-,43-,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)N[C@@H]2C(=O)C(=C([C@]2(O)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)OC)C1)/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 |
