Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA001269
PROPERTIES
| NPAID | NPA001269 |
|---|---|
| CLUSTER ID | 846 |
| NODE ID | 735 |
| NAME | Mycothiol |
| FORMULA | C27H40N4O14S |
| MOLECULAR WEIGHT (Da) | 676.6980 |
| ACCURATE MASS (Da) | 676.2262 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Mycobacterium |
| ORIGIN SPECIES | bovis |
| InChIKey | DUKFQTJTBSIGQL-ZFHOMJCASA-N |
| InChI | InChI=1S/C27H40N4O14S/c1-8-10(3)30-13(9(2)26(43)31(30)25(8)42)7-46-6-12(28-11(4)33)24(41)29-15-17(35)16(34)14(5-32)44-27(15)45-23-21(39)19(37)18(36)20(38)22(23)40/h12,14-23,27,32,34-40H,5-7H2,1-4H3,(H,28,33)(H,29,41)/t12-,14?,15?,16?,17?,18?,19?,20?,21?,22?,23?,27?/m0/s1 |
| SMILES | CC1=C(N2C(=C(C(=O)N2C1=O)C)CSC[C@@H](C(=O)NC3C(C(C(OC3OC4C(C(C(C(C4O)O)O)O)O)CO)O)O)NC(=O)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Spies, Hendrik S. C.; Steenkamp, Daniel J. Thiols of Intracellular Pathogens. Identification of Ovothiol A in Leishmania Donovani and Structural Analysis of a Novel Thiol from Mycobacterium Bovis European Journal of Biochemistry 1994 224 (1) 203-213. | ||
|---|---|---|---|
| DOI | 10.1111/j.1432-1033.1994.tb20013.x | PMID | 8076641 |
SYNTHESES
| CITATION 1 | Lee S; Rosazza JP First total synthesis of mycothiol and mycothiol disulfide. Organic Letters 2004 6 (3) 365-8. DOI: 10.1021/ol0362008 PMID: 14748594 | ||
|---|---|---|---|
