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CHEBI:69137 - mycothiazole

ChEBI IDCHEBI:69137
ChEBI Namemycothiazole
Stars
DefinitionA natural product found in Cacospongia mycofijiensis.
Last Modified22 September 2014
DownloadsMolfile
FormulaC22H32N2O3S
Net Charge0
Average Mass404.576
Monoisotopic Mass404.21336
SMILESC=CC/C=C/Cc1csc(C(C)(C)[C@H](O)C/C=C\C(=C)CCNC(=O)OC)n1
InChIInChI=1S/C22H32N2O3S/c1-6-7-8-9-12-18-16-28-20(24-18)22(3,4)19(25)13-10-11-17(2)14-15-23-21(26)27-5/h6,8-11,16,19,25H,1-2,7,12-15H2,3-5H3,(H,23,26)/b9-8+,11-10-/t19-/m1/s1
InChIKeyWOVFSYAJXQSJES-BFJIOXTGSA-N
Species of MetaboliteComponentSourceComments
Cacospongia mycofijiensis (ncbitaxon:1162744) - PubMed (22129061)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
mycothiazole (CHEBI:69137) has role metabolite (CHEBI:25212)
mycothiazole (CHEBI:69137) is a thiazoles (CHEBI:48901)
Synonym  Source
Carbamic acid, ((4Z,7R)-8-(4-((2Z)-2,5-hexadienyl)-2-thiazolyl)-7-hydroxy-8-methyl-3-methylene-4-nonenyl)-,methyl esterChEBI
Registry NumbersSources
CAS:114582-75-1ChemIDplus
Citations