Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA006237
PROPERTIES
| NPAID | NPA006237 |
|---|---|
| CLUSTER ID | 846 |
| NODE ID | 735 |
| NAME | N-propionyl-desacetyl-mycothiol-bimane |
| FORMULA | C28H42N4O14S |
| MOLECULAR WEIGHT (Da) | 690.7250 |
| ACCURATE MASS (Da) | 690.2418 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Salinispora |
| ORIGIN SPECIES | sp CNQ703 |
| InChIKey | YKMLZEKJURNUPR-MRMQBAFOSA-N |
| InChI | InChI=1S/C28H42N4O14S/c1-5-15(34)29-12(7-47-8-13-10(3)27(44)32-26(43)9(2)11(4)31(13)32)25(42)30-16-18(36)17(35)14(6-33)45-28(16)46-24-22(40)20(38)19(37)21(39)23(24)41/h12,14,16-24,28,33,35-41H,5-8H2,1-4H3,(H,29,34)(H,30,42)/t12-,14?,16?,17?,18?,19?,20?,21?,22?,23?,24?,28?/m0/s1 |
| SMILES | CCC(=O)N[C@@H](CSCC1=C(C(=O)N2N1C(=C(C2=O)C)C)C)C(=O)NC3C(C(C(OC3OC4C(C(C(C(C4O)O)O)O)O)CO)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Newton, Gerald L; Jensen, Paul R; Macmillan, John B; Fenical, William; Fahey, Robert C An N-acyl homolog of mycothiol is produced in marine actinomycetes Archives of Microbiology 2008 190 (5) 547-557. | ||
|---|---|---|---|
| DOI | 10.1007/s00203-008-0405-3 | PMID | 18629474 |
