Mrv0541 03111515372D          

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M  END
> <ID>
CHEBI:65716

> <NAME>
cystothiazole A

> <DEFINITION>
An  organonitrogen heterocyclic antibiotic that is 2,4'-bi-1,3-thiazole substituted by an isopropyl group at position 2' and a 3,5,7-trimethoxy-4-methyl-7-oxohepta-1,5-dien-1-yl group at position 4 (the 2E,4R,5S,6E stereoisomer). It is isolated from the culture broth of myxobacterium, Cystobacter fuscus, and exhibits antifungal and cytotoxic activity.

> <STAR>
3

> <SYNONYM>
melithiazole E; Cystothiazole A; (+)-cystothiazole A

> <IUPAC_NAME>
methyl (2E,4R,5S,6E)-3,5-dimethoxy-4-methyl-7-[2'-(propan-2-yl)-2,4'-bi-1,3-thiazol-4-yl]hepta-2,6-dienoate

> <FORMULA>
C20H26N2O4S2

> <MASS>
422.56100

> <MONOISOTOPIC_MASS>
422.13340

> <CHARGE>
0

> <SMILES>
CO[C@@H](\C=C\c1csc(n1)-c1csc(n1)C(C)C)[C@@H](C)C(\OC)=C/C(=O)OC

> <INCHI>
InChI=1S/C20H26N2O4S2/c1-12(2)19-22-15(11-28-19)20-21-14(10-27-20)7-8-16(24-4)13(3)17(25-5)9-18(23)26-6/h7-13,16H,1-6H3/b8-7+,17-9+/t13-,16+/m1/s1

> <INCHIKEY>
LRTJMINIVSPVMX-ZVJWTWILSA-N

> <REAXYS_REGISTRY_NUMBER>
8161374

> <KEGG_COMPOUND_ACCESSION>
C15712

> <KNAPSACK_ACCESSION>
C00016023

> <PUBMED_CITATION>
12817811; 14572275; 14981303; 17978521; 22621309; 9589062

$$$$